NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542129 |
2lqv   |
18332 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqv
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1208
_Distance_constraint_stats_list.Viol_count 876
_Distance_constraint_stats_list.Viol_total 76.007
_Distance_constraint_stats_list.Viol_max 0.042
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0087
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASN 0.000 0.000 . 0 "[ . 1]"
1 4 GLU 0.040 0.020 2 0 "[ . 1]"
1 5 THR 0.040 0.020 2 0 "[ . 1]"
1 8 SER 0.000 0.000 . 0 "[ . 1]"
1 9 VAL 0.018 0.018 10 0 "[ . 1]"
1 10 THR 0.000 0.000 . 0 "[ . 1]"
1 11 PHE 0.018 0.018 10 0 "[ . 1]"
1 12 PRO 0.000 0.000 . 0 "[ . 1]"
1 13 LYS 0.173 0.022 5 0 "[ . 1]"
1 14 CYS 0.112 0.009 4 0 "[ . 1]"
1 15 GLU 0.392 0.018 2 0 "[ . 1]"
1 16 ASP 0.167 0.014 6 0 "[ . 1]"
1 17 LEU 0.380 0.028 1 0 "[ . 1]"
1 18 ASP 0.665 0.036 8 0 "[ . 1]"
1 19 ALA 0.406 0.036 8 0 "[ . 1]"
1 20 ALA 0.541 0.031 3 0 "[ . 1]"
1 21 GLY 0.033 0.006 9 0 "[ . 1]"
1 22 ILE 0.618 0.028 1 0 "[ . 1]"
1 23 ALA 0.136 0.014 3 0 "[ . 1]"
1 24 ALA 0.094 0.022 3 0 "[ . 1]"
1 25 SER 0.197 0.021 10 0 "[ . 1]"
1 26 VAL 0.272 0.022 3 0 "[ . 1]"
1 27 LYS 0.317 0.021 10 0 "[ . 1]"
1 28 ARG 0.051 0.015 7 0 "[ . 1]"
1 29 ASP 0.157 0.018 5 0 "[ . 1]"
1 30 TYR 0.279 0.018 5 0 "[ . 1]"
1 31 GLN 0.000 0.000 . 0 "[ . 1]"
1 32 GLN 0.000 0.000 . 0 "[ . 1]"
1 45 VAL 0.000 0.000 . 0 "[ . 1]"
1 46 GLY 0.000 0.000 . 0 "[ . 1]"
1 50 PRO 0.015 0.007 3 0 "[ . 1]"
1 51 VAL 0.002 0.002 2 0 "[ . 1]"
1 52 ALA 0.000 0.000 . 0 "[ . 1]"
1 53 TRP 0.495 0.042 6 0 "[ . 1]"
1 54 VAL 0.113 0.026 3 0 "[ . 1]"
1 55 SER 0.207 0.015 5 0 "[ . 1]"
1 56 LEU 0.411 0.031 3 0 "[ . 1]"
1 57 GLN 0.104 0.012 5 0 "[ . 1]"
1 58 ASP 0.215 0.020 10 0 "[ . 1]"
1 59 ILE 0.686 0.020 10 0 "[ . 1]"
1 60 GLN 0.155 0.026 3 0 "[ . 1]"
1 61 GLY 0.047 0.009 6 0 "[ . 1]"
1 62 LYS 0.303 0.028 5 0 "[ . 1]"
1 63 ASP 0.083 0.028 5 0 "[ . 1]"
1 64 ASP 0.411 0.037 6 0 "[ . 1]"
1 65 LYS 0.845 0.037 8 0 "[ . 1]"
1 66 TRP 0.549 0.024 7 0 "[ . 1]"
1 67 SER 0.059 0.008 6 0 "[ . 1]"
1 68 VAL 0.062 0.012 10 0 "[ . 1]"
1 69 PRO 0.131 0.015 5 0 "[ . 1]"
1 70 LEU 0.020 0.011 2 0 "[ . 1]"
1 71 THR 0.535 0.042 6 0 "[ . 1]"
1 72 VAL 0.180 0.027 2 0 "[ . 1]"
1 73 ARG 0.068 0.012 9 0 "[ . 1]"
1 74 GLY 0.096 0.034 7 0 "[ . 1]"
1 75 LYS 0.106 0.034 7 0 "[ . 1]"
1 76 SER 0.010 0.010 8 0 "[ . 1]"
1 77 ALA 0.171 0.030 6 0 "[ . 1]"
1 78 ASP 0.125 0.030 6 0 "[ . 1]"
1 79 ILE 0.098 0.032 2 0 "[ . 1]"
1 83 VAL 0.230 0.016 2 0 "[ . 1]"
1 84 SER 0.195 0.016 2 0 "[ . 1]"
1 85 VAL 0.328 0.015 1 0 "[ . 1]"
1 86 ASP 0.523 0.025 2 0 "[ . 1]"
1 87 CYS 0.487 0.019 3 0 "[ . 1]"
1 88 LYS 0.247 0.017 9 0 "[ . 1]"
1 89 ALA 0.198 0.023 5 0 "[ . 1]"
1 90 GLY 0.438 0.021 5 0 "[ . 1]"
1 91 MET 0.033 0.006 7 0 "[ . 1]"
1 92 ALA 0.132 0.025 2 0 "[ . 1]"
1 93 GLU 0.037 0.009 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 83 VAL HA 1 93 GLU HA 5.500 . 5.500 5.445 5.184 5.509 0.009 7 0 "[ . 1]" 1
2 1 51 VAL H 1 51 VAL HB 4.170 . 4.170 2.567 2.512 2.646 . 0 0 "[ . 1]" 1
3 1 60 GLN HB3 1 60 GLN HE21 3.790 . 3.790 2.647 2.351 3.334 . 0 0 "[ . 1]" 1
4 1 64 ASP HB2 1 88 LYS HB2 4.040 . 4.040 3.572 3.227 3.984 . 0 0 "[ . 1]" 1
5 1 92 ALA HA 1 93 GLU H 2.770 . 2.770 2.129 2.094 2.153 . 0 0 "[ . 1]" 1
6 1 91 MET H 1 92 ALA HA 5.130 . 5.130 4.845 4.779 4.927 . 0 0 "[ . 1]" 1
7 1 91 MET HA 1 92 ALA HA 4.820 . 4.820 4.543 4.513 4.576 . 0 0 "[ . 1]" 1
8 1 92 ALA HA 1 93 GLU HA 5.120 . 5.120 4.369 4.342 4.401 . 0 0 "[ . 1]" 1
9 1 91 MET HB2 1 92 ALA HA 4.810 . 4.810 4.340 4.276 4.451 . 0 0 "[ . 1]" 1
10 1 85 VAL MG2 1 92 ALA HA 4.260 . 4.260 3.883 3.617 3.962 . 0 0 "[ . 1]" 1
11 1 30 TYR HE1 1 92 ALA MB 4.880 . 4.880 4.792 4.257 4.890 0.010 1 0 "[ . 1]" 1
12 1 92 ALA MB 1 93 GLU HA 5.370 . 5.370 4.275 4.202 4.337 . 0 0 "[ . 1]" 1
13 1 86 ASP HB2 1 92 ALA MB 5.050 . 5.050 5.055 5.029 5.075 0.025 2 0 "[ . 1]" 1
14 1 85 VAL MG1 1 92 ALA MB 3.610 . 3.610 3.511 3.127 3.617 0.007 1 0 "[ . 1]" 1
15 1 85 VAL MG2 1 92 ALA MB 3.810 . 3.810 3.191 2.805 3.320 . 0 0 "[ . 1]" 1
16 1 83 VAL MG1 1 92 ALA MB 3.700 . 3.700 2.482 2.109 2.772 . 0 0 "[ . 1]" 1
17 1 84 SER H 1 92 ALA MB 4.910 . 4.910 4.478 4.126 4.678 . 0 0 "[ . 1]" 1
18 1 17 LEU MD2 1 25 SER H 5.500 . 5.500 5.213 4.923 5.434 . 0 0 "[ . 1]" 1
19 1 17 LEU H 1 17 LEU MD2 4.010 . 4.010 3.814 3.752 3.865 . 0 0 "[ . 1]" 1
20 1 14 CYS HA 1 17 LEU MD2 5.000 . 5.000 4.759 4.580 4.866 . 0 0 "[ . 1]" 1
21 1 17 LEU MD2 1 18 ASP HA 5.060 . 5.060 5.054 5.027 5.070 0.010 3 0 "[ . 1]" 1
22 1 17 LEU HA 1 17 LEU MD2 2.600 . 2.600 1.932 1.872 1.987 . 0 0 "[ . 1]" 1
23 1 17 LEU MD2 1 21 GLY HA2 3.210 . 3.210 2.968 2.749 3.211 0.001 3 0 "[ . 1]" 1
24 1 14 CYS HB3 1 17 LEU MD2 4.350 . 4.350 4.212 4.063 4.326 . 0 0 "[ . 1]" 1
25 1 17 LEU HB3 1 17 LEU MD2 3.160 . 3.160 2.299 2.258 2.343 . 0 0 "[ . 1]" 1
26 1 17 LEU HB2 1 17 LEU MD2 3.190 . 3.190 3.175 3.163 3.184 . 0 0 "[ . 1]" 1
27 1 91 MET HA 1 92 ALA H 3.160 . 3.160 2.470 2.388 2.520 . 0 0 "[ . 1]" 1
28 1 90 GLY HA3 1 91 MET HA 4.740 . 4.740 4.549 4.533 4.568 . 0 0 "[ . 1]" 1
29 1 91 MET HA 1 91 MET HG2 3.620 . 3.620 2.567 2.489 2.635 . 0 0 "[ . 1]" 1
30 1 91 MET HA 1 92 ALA MB 4.460 . 4.460 3.884 3.828 3.935 . 0 0 "[ . 1]" 1
31 1 91 MET HB3 1 92 ALA H 4.180 . 4.180 2.292 2.119 2.466 . 0 0 "[ . 1]" 1
32 1 91 MET HB2 1 92 ALA H 4.370 . 4.370 3.421 3.318 3.593 . 0 0 "[ . 1]" 1
33 1 86 ASP H 1 91 MET HB2 4.740 . 4.740 3.730 3.500 3.971 . 0 0 "[ . 1]" 1
34 1 86 ASP H 1 91 MET HB3 5.500 . 5.500 4.804 4.582 5.035 . 0 0 "[ . 1]" 1
35 1 90 GLY H 1 91 MET HB2 5.420 . 5.420 4.719 4.604 4.904 . 0 0 "[ . 1]" 1
36 1 91 MET HB3 1 92 ALA HA 4.680 . 4.680 4.259 4.193 4.346 . 0 0 "[ . 1]" 1
37 1 86 ASP HB3 1 91 MET HB2 4.030 . 4.030 2.949 2.635 3.238 . 0 0 "[ . 1]" 1
38 1 86 ASP HB2 1 91 MET HB2 3.380 . 3.380 1.968 1.768 2.441 . 0 0 "[ . 1]" 1
39 1 89 ALA MB 1 91 MET HB2 3.550 . 3.550 3.179 3.056 3.329 . 0 0 "[ . 1]" 1
40 1 91 MET HG3 1 92 ALA H 5.320 . 5.320 4.844 4.756 4.951 . 0 0 "[ . 1]" 1
41 1 90 GLY H 1 91 MET HG2 5.420 . 5.420 5.423 5.415 5.426 0.006 7 0 "[ . 1]" 1
42 1 91 MET H 1 91 MET HG2 4.130 . 4.130 3.993 3.907 4.081 . 0 0 "[ . 1]" 1
43 1 91 MET HA 1 91 MET HG3 3.740 . 3.740 3.187 3.103 3.255 . 0 0 "[ . 1]" 1
44 1 89 ALA MB 1 91 MET HG2 3.900 . 3.900 3.770 3.645 3.902 0.002 6 0 "[ . 1]" 1
45 1 89 ALA MB 1 91 MET HG3 3.290 . 3.290 2.362 2.294 2.443 . 0 0 "[ . 1]" 1
46 1 86 ASP HB3 1 91 MET HG3 4.570 . 4.570 3.506 3.191 3.897 . 0 0 "[ . 1]" 1
47 1 90 GLY HA2 1 91 MET HA 5.180 . 5.180 4.388 4.353 4.405 . 0 0 "[ . 1]" 1
48 1 87 CYS HA 1 90 GLY HA2 4.380 . 4.380 3.531 3.372 3.645 . 0 0 "[ . 1]" 1
49 1 87 CYS HA 1 90 GLY HA3 5.150 . 5.150 5.052 4.867 5.153 0.003 8 0 "[ . 1]" 1
50 1 89 ALA HA 1 90 GLY HA3 4.800 . 4.800 4.569 4.535 4.596 . 0 0 "[ . 1]" 1
51 1 13 LYS HE2 1 90 GLY HA3 5.500 . 5.500 4.828 3.729 5.506 0.006 5 0 "[ . 1]" 1
52 1 13 LYS HE3 1 90 GLY HA3 5.500 . 5.500 4.293 3.543 5.505 0.005 8 0 "[ . 1]" 1
53 1 86 ASP HB3 1 90 GLY HA3 5.500 . 5.500 5.126 4.704 5.505 0.005 4 0 "[ . 1]" 1
54 1 86 ASP HB3 1 90 GLY HA2 4.810 . 4.810 4.369 3.825 4.789 . 0 0 "[ . 1]" 1
55 1 86 ASP HB2 1 90 GLY HA2 5.150 . 5.150 4.763 4.194 5.171 0.021 5 0 "[ . 1]" 1
56 1 13 LYS QG 1 90 GLY HA3 . . 3.920 3.009 2.761 3.223 . 0 0 "[ . 1]" 1
57 1 13 LYS QG 1 90 GLY HA2 3.920 . 3.920 1.668 1.450 1.836 . 0 0 "[ . 1]" 1
58 1 86 ASP HB3 1 89 ALA HA 4.480 . 4.480 4.467 4.408 4.503 0.023 5 0 "[ . 1]" 1
59 1 88 LYS HB2 1 89 ALA HA 5.070 . 5.070 4.624 4.545 4.718 . 0 0 "[ . 1]" 1
60 1 88 LYS HB3 1 89 ALA HA 5.450 . 5.450 4.545 4.370 4.720 . 0 0 "[ . 1]" 1
61 1 22 ILE H 1 23 ALA MB 4.420 . 4.420 4.430 4.425 4.434 0.014 3 0 "[ . 1]" 1
62 1 23 ALA MB 1 25 SER H 4.610 . 4.610 4.411 4.293 4.542 . 0 0 "[ . 1]" 1
63 1 23 ALA MB 1 27 LYS H 4.880 . 4.880 4.531 4.397 4.695 . 0 0 "[ . 1]" 1
64 1 19 ALA HA 1 23 ALA MB 4.840 . 4.840 4.704 4.654 4.808 . 0 0 "[ . 1]" 1
65 1 87 CYS H 1 88 LYS HA 5.370 . 5.370 5.236 5.191 5.322 . 0 0 "[ . 1]" 1
66 1 88 LYS HA 1 90 GLY H 4.430 . 4.430 4.146 4.011 4.241 . 0 0 "[ . 1]" 1
67 1 88 LYS HA 1 88 LYS HB3 2.820 . 2.820 2.512 2.452 2.571 . 0 0 "[ . 1]" 1
68 1 88 LYS HA 1 88 LYS HD2 3.940 . 3.940 2.354 1.893 3.166 . 0 0 "[ . 1]" 1
69 1 88 LYS HA 1 88 LYS HD3 3.940 . 3.940 3.140 2.080 3.717 . 0 0 "[ . 1]" 1
70 1 88 LYS HA 1 88 LYS HG2 3.480 . 3.480 2.868 2.779 3.012 . 0 0 "[ . 1]" 1
71 1 88 LYS HA 1 88 LYS HG3 3.980 . 3.980 3.741 3.689 3.809 . 0 0 "[ . 1]" 1
72 1 71 THR H 1 72 VAL HB 5.500 . 5.500 5.129 4.327 5.527 0.027 2 0 "[ . 1]" 1
73 1 88 LYS H 1 88 LYS HD2 4.800 . 4.800 4.233 3.869 4.813 0.013 7 0 "[ . 1]" 1
74 1 88 LYS H 1 88 LYS HD3 4.800 . 4.800 4.415 4.079 4.800 0.000 4 0 "[ . 1]" 1
75 1 13 LYS H 1 13 LYS HD3 5.180 . 5.180 4.662 4.568 4.763 . 0 0 "[ . 1]" 1
76 1 13 LYS H 1 13 LYS HD2 5.500 . 5.500 4.546 4.383 4.622 . 0 0 "[ . 1]" 1
77 1 13 LYS HD2 1 91 MET H 4.560 . 4.560 3.243 2.801 3.787 . 0 0 "[ . 1]" 1
78 1 13 LYS HD3 1 87 CYS HA 5.400 . 5.400 4.287 3.811 4.776 . 0 0 "[ . 1]" 1
79 1 13 LYS HD2 1 87 CYS HA 5.500 . 5.500 4.085 3.534 4.952 . 0 0 "[ . 1]" 1
80 1 13 LYS HA 1 13 LYS HD3 4.200 . 4.200 4.065 3.772 4.222 0.022 5 0 "[ . 1]" 1
81 1 13 LYS HD2 1 90 GLY HA2 4.550 . 4.550 3.080 2.386 3.688 . 0 0 "[ . 1]" 1
82 1 13 LYS QG 1 91 MET H 4.040 . 4.040 3.159 2.825 3.425 . 0 0 "[ . 1]" 1
83 1 64 ASP HB2 1 88 LYS HG3 3.370 . 3.370 3.361 3.249 3.378 0.008 10 0 "[ . 1]" 1
84 1 15 GLU HB3 1 88 LYS HG2 5.500 . 5.500 5.224 4.735 5.496 . 0 0 "[ . 1]" 1
85 1 87 CYS HB3 1 88 LYS H 4.200 . 4.200 3.421 3.345 3.487 . 0 0 "[ . 1]" 1
86 1 66 TRP HD1 1 87 CYS HB3 5.500 . 5.500 5.064 4.930 5.189 . 0 0 "[ . 1]" 1
87 1 86 ASP HA 1 87 CYS HB2 4.810 . 4.810 4.650 4.585 4.708 . 0 0 "[ . 1]" 1
88 1 14 CYS HA 1 87 CYS HB3 4.380 . 4.380 3.833 3.758 3.884 . 0 0 "[ . 1]" 1
89 1 15 GLU HA 1 87 CYS HB2 4.150 . 4.150 4.160 4.151 4.168 0.018 2 0 "[ . 1]" 1
90 1 13 LYS HB2 1 87 CYS HB2 4.820 . 4.820 4.620 4.534 4.710 . 0 0 "[ . 1]" 1
91 1 87 CYS HB2 1 88 LYS HB2 5.080 . 5.080 4.478 4.335 4.628 . 0 0 "[ . 1]" 1
92 1 13 LYS HB2 1 87 CYS HB3 4.340 . 4.340 3.556 3.419 3.691 . 0 0 "[ . 1]" 1
93 1 87 CYS HB3 1 88 LYS HB2 5.500 . 5.500 5.474 5.336 5.509 0.009 5 0 "[ . 1]" 1
94 1 86 ASP HA 1 88 LYS H 4.680 . 4.680 4.186 4.133 4.304 . 0 0 "[ . 1]" 1
95 1 86 ASP HA 1 89 ALA H 4.960 . 4.960 4.166 4.124 4.228 . 0 0 "[ . 1]" 1
96 1 86 ASP HA 1 91 MET H 5.410 . 5.410 4.211 4.137 4.288 . 0 0 "[ . 1]" 1
97 1 65 LYS HA 1 86 ASP HA 3.330 . 3.330 2.657 2.537 2.760 . 0 0 "[ . 1]" 1
98 1 65 LYS HD2 1 86 ASP HA 4.210 . 4.210 2.665 2.317 2.916 . 0 0 "[ . 1]" 1
99 1 65 LYS HG3 1 86 ASP HA 3.420 . 3.420 2.249 2.102 2.368 . 0 0 "[ . 1]" 1
100 1 86 ASP HB3 1 87 CYS H 4.490 . 4.490 3.782 3.699 3.877 . 0 0 "[ . 1]" 1
101 1 86 ASP H 1 86 ASP HB3 3.660 . 3.660 3.430 3.104 3.666 0.006 4 0 "[ . 1]" 1
102 1 86 ASP HB3 1 88 LYS H 5.480 . 5.480 4.403 4.225 4.512 . 0 0 "[ . 1]" 1
103 1 65 LYS HA 1 65 LYS HE2 5.500 . 5.500 4.959 4.153 5.504 0.004 9 0 "[ . 1]" 1
104 1 65 LYS HA 1 65 LYS HE3 5.500 . 5.500 4.924 4.830 5.052 . 0 0 "[ . 1]" 1
105 1 65 LYS HA 1 86 ASP HB3 5.500 . 5.500 5.322 4.938 5.514 0.014 5 0 "[ . 1]" 1
106 1 86 ASP HB2 1 92 ALA HA 4.700 . 4.700 4.293 4.073 4.517 . 0 0 "[ . 1]" 1
107 1 85 VAL HA 1 86 ASP HB2 4.610 . 4.610 4.316 4.153 4.500 . 0 0 "[ . 1]" 1
108 1 86 ASP HB2 1 91 MET HB3 4.690 . 4.690 3.583 3.395 4.004 . 0 0 "[ . 1]" 1
109 1 85 VAL MG1 1 86 ASP HB2 5.030 . 5.030 4.577 4.486 4.697 . 0 0 "[ . 1]" 1
110 1 84 SER H 1 85 VAL HA 4.980 . 4.980 4.939 4.742 4.991 0.011 2 0 "[ . 1]" 1
111 1 85 VAL HA 1 92 ALA HA 3.100 . 3.100 2.542 2.337 2.645 . 0 0 "[ . 1]" 1
112 1 85 VAL HA 1 86 ASP HA 4.490 . 4.490 4.413 4.395 4.432 . 0 0 "[ . 1]" 1
113 1 55 SER HB3 1 58 ASP HB2 4.190 . 4.190 2.219 1.529 2.541 . 0 0 "[ . 1]" 1
114 1 85 VAL HA 1 92 ALA MB 3.710 . 3.710 3.132 2.741 3.267 . 0 0 "[ . 1]" 1
115 1 83 VAL MG1 1 85 VAL HA 4.490 . 4.490 3.743 3.535 3.858 . 0 0 "[ . 1]" 1
116 1 22 ILE HG13 1 85 VAL HB 5.500 . 5.500 5.112 4.958 5.326 . 0 0 "[ . 1]" 1
117 1 83 VAL MG1 1 85 VAL HB 5.500 . 5.500 5.011 4.840 5.141 . 0 0 "[ . 1]" 1
118 1 85 VAL MG1 1 86 ASP H 3.210 . 3.210 2.702 2.589 2.792 . 0 0 "[ . 1]" 1
119 1 85 VAL MG1 1 90 GLY H 5.500 . 5.500 5.285 5.141 5.463 . 0 0 "[ . 1]" 1
120 1 85 VAL MG1 1 92 ALA HA 4.590 . 4.590 4.177 3.979 4.279 . 0 0 "[ . 1]" 1
121 1 85 VAL MG1 1 86 ASP HA 4.110 . 4.110 3.667 3.541 3.784 . 0 0 "[ . 1]" 1
122 1 83 VAL HA 1 83 VAL MG2 3.710 . 3.710 2.433 2.377 2.477 . 0 0 "[ . 1]" 1
123 1 85 VAL HA 1 85 VAL MG1 3.120 . 3.120 2.403 2.379 2.431 . 0 0 "[ . 1]" 1
124 1 85 VAL MG1 1 90 GLY HA2 5.340 . 5.340 4.846 4.670 5.003 . 0 0 "[ . 1]" 1
125 1 66 TRP HB3 1 85 VAL MG1 4.780 . 4.780 4.661 4.590 4.760 . 0 0 "[ . 1]" 1
126 1 66 TRP HB2 1 85 VAL MG1 3.870 . 3.870 3.249 3.153 3.343 . 0 0 "[ . 1]" 1
127 1 66 TRP HE1 1 85 VAL MG1 4.840 . 4.840 4.845 4.840 4.849 0.009 3 0 "[ . 1]" 1
128 1 66 TRP H 1 85 VAL MG2 4.340 . 4.340 3.986 3.865 4.111 . 0 0 "[ . 1]" 1
129 1 30 TYR HE2 1 85 VAL MG2 4.910 . 4.910 4.680 4.263 4.916 0.006 2 0 "[ . 1]" 1
130 1 84 SER HA 1 85 VAL MG2 4.050 . 4.050 3.602 3.487 3.730 . 0 0 "[ . 1]" 1
131 1 67 SER HA 1 85 VAL MG2 4.010 . 4.010 3.727 3.498 3.868 . 0 0 "[ . 1]" 1
132 1 83 VAL HA 1 85 VAL MG2 5.500 . 5.500 5.046 4.783 5.150 . 0 0 "[ . 1]" 1
133 1 85 VAL HA 1 85 VAL MG2 3.210 . 3.210 2.397 2.382 2.416 . 0 0 "[ . 1]" 1
134 1 84 SER HB2 1 85 VAL MG2 5.500 . 5.500 5.370 5.259 5.512 0.012 5 0 "[ . 1]" 1
135 1 84 SER HB3 1 85 VAL MG2 5.500 . 5.500 5.263 5.168 5.341 . 0 0 "[ . 1]" 1
136 1 66 TRP HB2 1 85 VAL MG2 3.770 . 3.770 3.024 2.980 3.058 . 0 0 "[ . 1]" 1
137 1 26 VAL HB 1 85 VAL MG2 4.510 . 4.510 3.958 2.948 4.523 0.013 3 0 "[ . 1]" 1
138 1 59 ILE MG 1 85 VAL MG2 5.430 . 5.430 5.230 5.156 5.312 . 0 0 "[ . 1]" 1
139 1 83 VAL MG1 1 85 VAL MG2 3.240 . 3.240 2.707 2.492 2.792 . 0 0 "[ . 1]" 1
140 1 83 VAL HA 1 84 SER HA 4.580 . 4.580 4.354 4.332 4.389 . 0 0 "[ . 1]" 1
141 1 84 SER HA 1 85 VAL HA 4.850 . 4.850 4.394 4.366 4.425 . 0 0 "[ . 1]" 1
142 1 84 SER HA 1 85 VAL HB 4.760 . 4.760 4.607 4.534 4.675 . 0 0 "[ . 1]" 1
143 1 67 SER H 1 67 SER HB2 3.140 . 3.140 2.987 2.846 3.139 . 0 0 "[ . 1]" 1
144 1 26 VAL HB 1 85 VAL MG1 5.500 . 5.500 4.718 3.355 5.511 0.011 3 0 "[ . 1]" 1
145 1 83 VAL HB 1 85 VAL H 5.490 . 5.490 5.307 5.066 5.492 0.002 8 0 "[ . 1]" 1
146 1 83 VAL HB 1 85 VAL MG2 4.410 . 4.410 3.595 3.370 3.834 . 0 0 "[ . 1]" 1
147 1 83 VAL MG2 1 93 GLU H 5.500 . 5.500 5.437 5.161 5.506 0.006 10 0 "[ . 1]" 1
148 1 83 VAL MG1 1 85 VAL H 4.140 . 4.140 4.026 3.808 4.144 0.004 10 0 "[ . 1]" 1
149 1 83 VAL MG1 1 93 GLU H 3.780 . 3.780 3.219 2.966 3.468 . 0 0 "[ . 1]" 1
150 1 30 TYR HD1 1 83 VAL MG1 5.500 . 5.500 5.475 5.368 5.513 0.013 10 0 "[ . 1]" 1
151 1 83 VAL MG1 1 92 ALA HA 4.220 . 4.220 3.521 3.196 3.735 . 0 0 "[ . 1]" 1
152 1 83 VAL HA 1 83 VAL MG1 3.280 . 3.280 2.367 2.323 2.415 . 0 0 "[ . 1]" 1
153 1 77 ALA MB 1 78 ASP HA 4.800 . 4.800 4.013 3.899 4.128 . 0 0 "[ . 1]" 1
154 1 78 ASP HA 1 79 ILE MG 4.860 . 4.860 3.727 3.318 3.980 . 0 0 "[ . 1]" 1
155 1 76 SER HA 1 77 ALA HA 4.780 . 4.780 4.570 4.475 4.655 . 0 0 "[ . 1]" 1
156 1 77 ALA HA 1 78 ASP HB2 5.500 . 5.500 4.964 4.364 5.530 0.030 6 0 "[ . 1]" 1
157 1 77 ALA HA 1 78 ASP HB3 5.500 . 5.500 4.500 4.143 5.527 0.027 4 0 "[ . 1]" 1
158 1 74 GLY H 1 77 ALA MB 4.820 . 4.820 4.169 2.884 4.605 . 0 0 "[ . 1]" 1
159 1 75 LYS HA 1 75 LYS HG2 4.140 . 4.140 2.816 2.328 4.149 0.009 5 0 "[ . 1]" 1
160 1 75 LYS HA 1 75 LYS HG3 4.140 . 4.140 3.420 2.582 3.817 . 0 0 "[ . 1]" 1
161 1 13 LYS HA 1 87 CYS HA 4.500 . 4.500 4.466 4.315 4.509 0.009 7 0 "[ . 1]" 1
162 1 65 LYS HD2 1 66 TRP H 5.500 . 5.500 5.270 4.939 5.524 0.024 7 0 "[ . 1]" 1
163 1 65 LYS HD3 1 66 TRP H 5.500 . 5.500 5.159 4.730 5.388 . 0 0 "[ . 1]" 1
164 1 65 LYS H 1 65 LYS HD3 5.500 . 5.500 2.937 2.432 3.213 . 0 0 "[ . 1]" 1
165 1 65 LYS HA 1 65 LYS HD2 4.720 . 4.720 3.308 2.877 3.733 . 0 0 "[ . 1]" 1
166 1 65 LYS HA 1 65 LYS HD3 4.930 . 4.930 3.108 2.627 3.377 . 0 0 "[ . 1]" 1
167 1 65 LYS HD3 1 86 ASP HA 5.200 . 5.200 3.676 2.910 4.140 . 0 0 "[ . 1]" 1
168 1 62 LYS HA 1 62 LYS HD2 5.500 . 5.500 4.635 3.923 4.892 . 0 0 "[ . 1]" 1
169 1 62 LYS HA 1 62 LYS HD3 5.500 . 5.500 4.487 4.194 4.839 . 0 0 "[ . 1]" 1
170 1 65 LYS HD2 1 86 ASP HB2 4.580 . 4.580 4.532 4.353 4.594 0.014 4 0 "[ . 1]" 1
171 1 75 LYS H 1 75 LYS HG2 5.290 . 5.290 3.671 1.969 4.474 . 0 0 "[ . 1]" 1
172 1 75 LYS H 1 75 LYS HG3 5.290 . 5.290 3.669 1.846 4.657 . 0 0 "[ . 1]" 1
173 1 55 SER HB3 1 69 PRO HB2 5.500 . 5.500 4.542 3.695 5.189 . 0 0 "[ . 1]" 1
174 1 55 SER HB3 1 69 PRO HB3 5.500 . 5.500 5.057 4.034 5.506 0.006 8 0 "[ . 1]" 1
175 1 28 ARG HD2 1 29 ASP H 5.500 . 5.500 5.276 4.871 5.514 0.014 8 0 "[ . 1]" 1
176 1 28 ARG HD3 1 29 ASP H 5.500 . 5.500 5.092 4.340 5.512 0.012 7 0 "[ . 1]" 1
177 1 73 ARG H 1 73 ARG HD2 5.500 . 5.500 4.638 3.602 5.175 . 0 0 "[ . 1]" 1
178 1 73 ARG H 1 73 ARG HD3 5.500 . 5.500 4.454 3.922 5.013 . 0 0 "[ . 1]" 1
179 1 29 ASP HB3 1 30 TYR HD1 5.240 . 5.240 4.698 4.488 4.951 . 0 0 "[ . 1]" 1
180 1 15 GLU H 1 17 LEU HG 5.490 . 5.490 4.403 4.270 4.583 . 0 0 "[ . 1]" 1
181 1 17 LEU HG 1 18 ASP H 4.710 . 4.710 4.565 4.513 4.623 . 0 0 "[ . 1]" 1
182 1 17 LEU H 1 17 LEU HG 3.750 . 3.750 2.838 2.791 2.928 . 0 0 "[ . 1]" 1
183 1 14 CYS HB2 1 17 LEU HG 4.510 . 4.510 4.482 4.425 4.515 0.005 3 0 "[ . 1]" 1
184 1 53 TRP H 1 72 VAL HA 4.540 . 4.540 3.468 2.982 4.001 . 0 0 "[ . 1]" 1
185 1 52 ALA HA 1 72 VAL HA 4.120 . 4.120 2.353 2.058 2.708 . 0 0 "[ . 1]" 1
186 1 71 THR HA 1 72 VAL HA 4.530 . 4.530 4.373 4.353 4.396 . 0 0 "[ . 1]" 1
187 1 52 ALA MB 1 72 VAL HA 4.640 . 4.640 3.648 3.500 4.012 . 0 0 "[ . 1]" 1
188 1 72 VAL HA 1 72 VAL MG1 3.480 . 3.480 2.781 2.440 3.217 . 0 0 "[ . 1]" 1
189 1 72 VAL HA 1 72 VAL MG2 3.480 . 3.480 2.349 2.284 2.491 . 0 0 "[ . 1]" 1
190 1 9 VAL MG1 1 10 THR H 4.790 . 4.790 3.735 3.395 3.801 . 0 0 "[ . 1]" 1
191 1 75 LYS H 1 77 ALA MB 4.310 . 4.310 4.184 3.570 4.320 0.010 3 0 "[ . 1]" 1
192 1 53 TRP HE3 1 71 THR HB 5.500 . 5.500 4.528 4.324 4.667 . 0 0 "[ . 1]" 1
193 1 74 GLY HA2 1 77 ALA MB 3.950 . 3.950 3.843 3.626 3.957 0.007 3 0 "[ . 1]" 1
194 1 54 VAL HA 1 54 VAL MG1 3.730 . 3.730 3.213 3.207 3.221 . 0 0 "[ . 1]" 1
195 1 54 VAL HA 1 54 VAL MG2 3.730 . 3.730 2.384 2.348 2.413 . 0 0 "[ . 1]" 1
196 1 17 LEU MD2 1 22 ILE MD 3.330 . 3.330 3.344 3.333 3.358 0.028 1 0 "[ . 1]" 1
197 1 59 ILE MG 1 60 GLN HA 3.880 . 3.880 3.537 3.423 3.639 . 0 0 "[ . 1]" 1
198 1 27 LYS HG3 1 28 ARG H 5.370 . 5.370 4.132 3.888 4.596 . 0 0 "[ . 1]" 1
199 1 27 LYS H 1 27 LYS HG2 4.610 . 4.610 3.509 3.180 4.017 . 0 0 "[ . 1]" 1
200 1 27 LYS HG2 1 28 ARG H 5.370 . 5.370 4.897 4.791 5.023 . 0 0 "[ . 1]" 1
201 1 55 SER H 1 69 PRO HG3 4.980 . 4.980 2.767 2.449 3.214 . 0 0 "[ . 1]" 1
202 1 68 VAL HA 1 69 PRO HG3 4.560 . 4.560 4.421 4.376 4.481 . 0 0 "[ . 1]" 1
203 1 55 SER HB3 1 69 PRO HG3 4.200 . 4.200 3.759 2.791 4.215 0.015 5 0 "[ . 1]" 1
204 1 55 SER HB2 1 69 PRO HG3 3.790 . 3.790 3.164 2.548 3.803 0.013 8 0 "[ . 1]" 1
205 1 58 ASP HB2 1 69 PRO HG3 4.050 . 4.050 3.217 2.229 3.571 . 0 0 "[ . 1]" 1
206 1 58 ASP HB3 1 69 PRO HG3 4.050 . 4.050 1.739 1.516 1.943 . 0 0 "[ . 1]" 1
207 1 57 GLN HB3 1 59 ILE H 5.500 . 5.500 5.451 5.336 5.509 0.009 5 0 "[ . 1]" 1
208 1 57 GLN HB2 1 59 ILE H 5.500 . 5.500 5.056 4.952 5.124 . 0 0 "[ . 1]" 1
209 1 57 GLN HB3 1 58 ASP HA 5.330 . 5.330 4.577 4.420 4.838 . 0 0 "[ . 1]" 1
210 1 57 GLN HB2 1 58 ASP HA 5.500 . 5.500 4.470 4.340 4.568 . 0 0 "[ . 1]" 1
211 1 68 VAL HA 1 69 PRO HG2 4.370 . 4.370 4.125 4.023 4.233 . 0 0 "[ . 1]" 1
212 1 59 ILE HA 1 69 PRO HG2 5.500 . 5.500 4.712 4.159 5.329 . 0 0 "[ . 1]" 1
213 1 30 TYR HE2 1 68 VAL HB 5.450 . 5.450 4.763 4.327 5.393 . 0 0 "[ . 1]" 1
214 1 68 VAL HB 1 83 VAL HB 2.730 . 2.730 2.127 1.721 2.507 . 0 0 "[ . 1]" 1
215 1 68 VAL HB 1 83 VAL MG2 4.270 . 4.270 2.960 2.700 3.220 . 0 0 "[ . 1]" 1
216 1 68 VAL HB 1 85 VAL MG2 4.990 . 4.990 4.153 3.612 4.521 . 0 0 "[ . 1]" 1
217 1 68 VAL HB 1 83 VAL MG1 4.500 . 4.500 3.736 3.276 4.081 . 0 0 "[ . 1]" 1
218 1 65 LYS HA 1 85 VAL H 5.470 . 5.470 4.526 4.368 4.718 . 0 0 "[ . 1]" 1
219 1 66 TRP HA 1 85 VAL H 5.500 . 5.500 4.528 4.458 4.664 . 0 0 "[ . 1]" 1
220 1 92 ALA H 1 93 GLU HA 5.500 . 5.500 4.424 4.316 4.561 . 0 0 "[ . 1]" 1
221 1 65 LYS HA 1 86 ASP HB2 5.500 . 5.500 5.409 5.120 5.524 0.024 1 0 "[ . 1]" 1
222 1 65 LYS HA 1 65 LYS HG2 3.760 . 3.760 3.517 3.412 3.647 . 0 0 "[ . 1]" 1
223 1 65 LYS HA 1 65 LYS HG3 3.420 . 3.420 2.197 2.059 2.403 . 0 0 "[ . 1]" 1
224 1 65 LYS HA 1 85 VAL MG1 4.760 . 4.760 4.103 4.005 4.219 . 0 0 "[ . 1]" 1
225 1 65 LYS HB3 1 86 ASP HA 5.180 . 5.180 4.508 4.247 4.721 . 0 0 "[ . 1]" 1
226 1 85 VAL HB 1 86 ASP HA 5.450 . 5.450 4.809 4.758 4.888 . 0 0 "[ . 1]" 1
227 1 65 LYS HB2 1 86 ASP HA 5.380 . 5.380 4.761 4.627 4.847 . 0 0 "[ . 1]" 1
228 1 59 ILE MG 1 66 TRP HB3 4.250 . 4.250 2.887 2.812 2.983 . 0 0 "[ . 1]" 1
229 1 66 TRP HB3 1 85 VAL MG2 4.050 . 4.050 4.039 3.961 4.059 0.009 10 0 "[ . 1]" 1
230 1 26 VAL MG1 1 66 TRP HB2 5.500 . 5.500 5.506 5.489 5.513 0.013 8 0 "[ . 1]" 1
231 1 26 VAL MG2 1 66 TRP HB2 5.500 . 5.500 4.441 3.868 5.339 . 0 0 "[ . 1]" 1
232 1 22 ILE MD 1 66 TRP HB2 5.500 . 5.500 5.501 5.443 5.515 0.015 1 0 "[ . 1]" 1
233 1 18 ASP HB3 1 21 GLY H 5.120 . 5.120 3.543 3.351 4.219 . 0 0 "[ . 1]" 1
234 1 13 LYS QG 1 87 CYS H 4.690 . 4.690 4.547 4.408 4.593 . 0 0 "[ . 1]" 1
235 1 65 LYS HG2 1 66 TRP H 5.040 . 5.040 4.746 4.464 5.044 0.004 3 0 "[ . 1]" 1
236 1 13 LYS QG 1 86 ASP H 5.460 . 5.460 4.188 3.594 4.471 . 0 0 "[ . 1]" 1
237 1 65 LYS H 1 65 LYS HG2 5.060 . 5.060 4.614 4.344 4.800 . 0 0 "[ . 1]" 1
238 1 65 LYS HG2 1 86 ASP HA 4.100 . 4.100 3.910 3.768 4.045 . 0 0 "[ . 1]" 1
239 1 65 LYS HG3 1 86 ASP HB2 4.480 . 4.480 4.199 3.745 4.408 . 0 0 "[ . 1]" 1
240 1 13 LYS QG 1 86 ASP HB2 5.500 . 5.500 4.879 4.397 5.308 . 0 0 "[ . 1]" 1
241 1 65 LYS HG2 1 86 ASP HB2 5.500 . 5.500 5.368 4.983 5.506 0.006 1 0 "[ . 1]" 1
242 1 64 ASP HA 1 87 CYS HB2 4.120 . 4.120 3.116 2.813 3.670 . 0 0 "[ . 1]" 1
243 1 64 ASP HA 1 65 LYS HD3 5.500 . 5.500 4.711 4.455 5.074 . 0 0 "[ . 1]" 1
244 1 64 ASP H 1 64 ASP HB2 3.980 . 3.980 3.952 3.902 3.997 0.017 4 0 "[ . 1]" 1
245 1 64 ASP H 1 64 ASP HB3 4.130 . 4.130 3.171 3.004 3.341 . 0 0 "[ . 1]" 1
246 1 63 ASP HB3 1 64 ASP HB2 5.500 . 5.500 5.359 5.140 5.499 . 0 0 "[ . 1]" 1
247 1 64 ASP HB2 1 88 LYS HG2 3.970 . 3.970 2.216 1.959 2.535 . 0 0 "[ . 1]" 1
248 1 64 ASP HB3 1 88 LYS HB2 4.890 . 4.890 3.900 3.484 4.422 . 0 0 "[ . 1]" 1
249 1 64 ASP HB3 1 88 LYS HD2 5.500 . 5.500 5.182 4.768 5.505 0.005 7 0 "[ . 1]" 1
250 1 64 ASP HB3 1 88 LYS HD3 5.500 . 5.500 4.534 3.678 5.495 . 0 0 "[ . 1]" 1
251 1 64 ASP HB3 1 88 LYS HG2 4.030 . 4.030 2.773 2.333 3.189 . 0 0 "[ . 1]" 1
252 1 62 LYS HA 1 64 ASP H 4.910 . 4.910 4.813 4.658 4.915 0.005 7 0 "[ . 1]" 1
253 1 62 LYS HA 1 65 LYS H 4.670 . 4.670 4.685 4.670 4.693 0.023 1 0 "[ . 1]" 1
254 1 62 LYS HA 1 62 LYS HE2 5.500 . 5.500 4.652 3.836 5.412 . 0 0 "[ . 1]" 1
255 1 62 LYS HA 1 62 LYS HE3 5.500 . 5.500 4.804 3.861 5.394 . 0 0 "[ . 1]" 1
256 1 62 LYS HA 1 63 ASP HB2 5.240 . 5.240 4.611 4.501 4.708 . 0 0 "[ . 1]" 1
257 1 62 LYS HA 1 63 ASP HB3 5.000 . 5.000 4.903 4.770 5.005 0.005 4 0 "[ . 1]" 1
258 1 54 VAL HB 1 55 SER H 5.030 . 5.030 4.094 4.021 4.158 . 0 0 "[ . 1]" 1
259 1 56 LEU HB2 1 57 GLN H 4.040 . 4.040 3.301 3.239 3.366 . 0 0 "[ . 1]" 1
260 1 55 SER HA 1 56 LEU HB3 5.110 . 5.110 5.074 5.038 5.113 0.003 5 0 "[ . 1]" 1
261 1 56 LEU HB3 1 57 GLN HA 4.650 . 4.650 3.795 3.748 3.861 . 0 0 "[ . 1]" 1
262 1 55 SER HA 1 56 LEU HB2 5.050 . 5.050 4.230 4.199 4.254 . 0 0 "[ . 1]" 1
263 1 56 LEU HB3 1 57 GLN HB2 4.950 . 4.950 4.745 4.595 4.928 . 0 0 "[ . 1]" 1
264 1 62 LYS HG3 1 64 ASP H 5.500 . 5.500 5.501 5.453 5.511 0.011 4 0 "[ . 1]" 1
265 1 61 GLY H 1 66 TRP HA 4.610 . 4.610 4.366 4.260 4.428 . 0 0 "[ . 1]" 1
266 1 62 LYS H 1 66 TRP HA 4.160 . 4.160 3.623 3.506 3.719 . 0 0 "[ . 1]" 1
267 1 66 TRP HA 1 66 TRP HE3 3.750 . 3.750 3.133 3.030 3.251 . 0 0 "[ . 1]" 1
268 1 66 TRP HA 1 66 TRP HD1 4.470 . 4.470 4.197 4.122 4.266 . 0 0 "[ . 1]" 1
269 1 66 TRP HA 1 67 SER HB3 5.050 . 5.050 4.728 4.598 4.829 . 0 0 "[ . 1]" 1
270 1 66 TRP HA 1 67 SER HB2 4.490 . 4.490 4.265 4.184 4.363 . 0 0 "[ . 1]" 1
271 1 65 LYS HB3 1 66 TRP HA 4.730 . 4.730 4.356 4.208 4.460 . 0 0 "[ . 1]" 1
272 1 66 TRP HA 1 85 VAL HB 5.170 . 5.170 4.429 4.350 4.501 . 0 0 "[ . 1]" 1
273 1 66 TRP HA 1 85 VAL MG2 5.370 . 5.370 5.103 5.035 5.179 . 0 0 "[ . 1]" 1
274 1 61 GLY HA2 1 66 TRP HE3 4.240 . 4.240 4.205 3.907 4.249 0.009 6 0 "[ . 1]" 1
275 1 61 GLY HA2 1 66 TRP HA 3.640 . 3.640 2.782 2.359 2.987 . 0 0 "[ . 1]" 1
276 1 60 GLN HA 1 61 GLY HA2 4.770 . 4.770 4.584 4.475 4.634 . 0 0 "[ . 1]" 1
277 1 61 GLY HA3 1 66 TRP HE3 4.240 . 4.240 2.714 2.691 2.758 . 0 0 "[ . 1]" 1
278 1 61 GLY HA3 1 66 TRP HA 3.640 . 3.640 1.766 1.533 2.236 . 0 0 "[ . 1]" 1
279 1 60 GLN HA 1 61 GLY HA3 4.770 . 4.770 4.345 4.294 4.376 . 0 0 "[ . 1]" 1
280 1 13 LYS HA 1 14 CYS HA 4.690 . 4.690 4.579 4.533 4.602 . 0 0 "[ . 1]" 1
281 1 14 CYS HA 1 14 CYS HB2 2.920 . 2.920 2.767 2.754 2.779 . 0 0 "[ . 1]" 1
282 1 14 CYS HA 1 14 CYS HB3 2.830 . 2.830 2.251 2.246 2.256 . 0 0 "[ . 1]" 1
283 1 13 LYS HB2 1 14 CYS HA 5.020 . 5.020 4.640 4.557 4.742 . 0 0 "[ . 1]" 1
284 1 14 CYS HA 1 17 LEU HB3 4.470 . 4.470 4.420 4.245 4.477 0.007 6 0 "[ . 1]" 1
285 1 14 CYS HA 1 17 LEU HG 3.910 . 3.910 3.602 3.407 3.711 . 0 0 "[ . 1]" 1
286 1 14 CYS HA 1 17 LEU MD1 3.250 . 3.250 2.235 2.045 2.394 . 0 0 "[ . 1]" 1
287 1 50 PRO HB2 1 73 ARG H 4.530 . 4.530 4.231 2.504 4.537 0.007 3 0 "[ . 1]" 1
288 1 59 ILE HA 1 67 SER H 4.790 . 4.790 4.636 4.416 4.760 . 0 0 "[ . 1]" 1
289 1 59 ILE HA 1 60 GLN HA 4.550 . 4.550 4.385 4.369 4.397 . 0 0 "[ . 1]" 1
290 1 59 ILE HA 1 69 PRO HG3 4.380 . 4.380 3.553 3.126 4.048 . 0 0 "[ . 1]" 1
291 1 59 ILE HA 1 59 ILE HG12 3.470 . 3.470 2.788 2.738 2.841 . 0 0 "[ . 1]" 1
292 1 59 ILE HA 1 59 ILE MG 3.060 . 3.060 2.531 2.494 2.546 . 0 0 "[ . 1]" 1
293 1 59 ILE HB 1 60 GLN H 4.630 . 4.630 4.375 4.359 4.388 . 0 0 "[ . 1]" 1
294 1 22 ILE H 1 59 ILE MD 5.500 . 5.500 5.245 5.104 5.362 . 0 0 "[ . 1]" 1
295 1 27 LYS H 1 59 ILE MD 5.500 . 5.500 5.511 5.498 5.517 0.017 5 0 "[ . 1]" 1
296 1 58 ASP H 1 59 ILE MD 5.150 . 5.150 4.878 4.782 5.053 . 0 0 "[ . 1]" 1
297 1 59 ILE H 1 59 ILE MD 3.740 . 3.740 3.674 3.602 3.744 0.004 3 0 "[ . 1]" 1
298 1 59 ILE MD 1 66 TRP HZ3 5.500 . 5.500 5.372 5.195 5.491 . 0 0 "[ . 1]" 1
299 1 59 ILE MD 1 68 VAL HA 3.720 . 3.720 3.008 2.654 3.366 . 0 0 "[ . 1]" 1
300 1 59 ILE HA 1 59 ILE MD 3.680 . 3.680 2.042 1.978 2.095 . 0 0 "[ . 1]" 1
301 1 23 ALA HA 1 59 ILE MD 3.500 . 3.500 2.290 2.245 2.357 . 0 0 "[ . 1]" 1
302 1 19 ALA HA 1 59 ILE MD 4.280 . 4.280 4.201 4.023 4.281 0.001 8 0 "[ . 1]" 1
303 1 59 ILE MD 1 66 TRP HB3 4.730 . 4.730 3.648 3.455 3.840 . 0 0 "[ . 1]" 1
304 1 59 ILE MD 1 69 PRO HG3 4.790 . 4.790 3.619 3.170 3.915 . 0 0 "[ . 1]" 1
305 1 59 ILE HB 1 59 ILE MD 3.400 . 3.400 3.231 3.224 3.236 . 0 0 "[ . 1]" 1
306 1 54 VAL HB 1 59 ILE MD 4.170 . 4.170 4.090 3.973 4.175 0.005 9 0 "[ . 1]" 1
307 1 23 ALA MB 1 59 ILE MD 2.650 . 2.650 2.342 2.125 2.503 . 0 0 "[ . 1]" 1
308 1 59 ILE MD 1 59 ILE MG 2.560 . 2.560 1.955 1.898 1.991 . 0 0 "[ . 1]" 1
309 1 22 ILE MG 1 59 ILE MD 3.300 . 3.300 2.018 1.960 2.093 . 0 0 "[ . 1]" 1
310 1 58 ASP H 1 59 ILE HG12 4.490 . 4.490 3.681 3.616 3.852 . 0 0 "[ . 1]" 1
311 1 15 GLU HB3 1 16 ASP HA 4.910 . 4.910 4.319 4.223 4.406 . 0 0 "[ . 1]" 1
312 1 23 ALA MB 1 59 ILE HG12 4.470 . 4.470 2.780 2.655 2.916 . 0 0 "[ . 1]" 1
313 1 59 ILE MG 1 67 SER H 3.890 . 3.890 3.881 3.844 3.898 0.008 6 0 "[ . 1]" 1
314 1 22 ILE H 1 59 ILE MG 5.040 . 5.040 4.506 4.296 4.608 . 0 0 "[ . 1]" 1
315 1 59 ILE MG 1 66 TRP HZ2 5.070 . 5.070 4.930 4.890 4.999 . 0 0 "[ . 1]" 1
316 1 59 ILE MG 1 66 TRP HE3 2.890 . 2.890 2.199 2.148 2.238 . 0 0 "[ . 1]" 1
317 1 59 ILE MG 1 66 TRP HZ3 3.200 . 3.200 2.473 2.387 2.525 . 0 0 "[ . 1]" 1
318 1 59 ILE MG 1 66 TRP HA 4.500 . 4.500 4.459 4.359 4.506 0.006 3 0 "[ . 1]" 1
319 1 56 LEU HA 1 59 ILE MG 4.420 . 4.420 4.350 4.284 4.423 0.003 6 0 "[ . 1]" 1
320 1 59 ILE HG12 1 59 ILE MG 3.390 . 3.390 3.204 3.198 3.208 . 0 0 "[ . 1]" 1
321 1 59 ILE MG 1 66 TRP HB2 4.620 . 4.620 4.179 4.061 4.303 . 0 0 "[ . 1]" 1
322 1 19 ALA MB 1 59 ILE MG 3.000 . 3.000 2.035 1.972 2.124 . 0 0 "[ . 1]" 1
323 1 19 ALA MB 1 20 ALA H 2.860 . 2.860 2.671 2.642 2.700 . 0 0 "[ . 1]" 1
324 1 19 ALA MB 1 66 TRP HZ2 5.150 . 5.150 4.560 4.286 4.899 . 0 0 "[ . 1]" 1
325 1 19 ALA MB 1 66 TRP HE3 4.470 . 4.470 4.032 3.926 4.213 . 0 0 "[ . 1]" 1
326 1 19 ALA MB 1 66 TRP HZ3 3.180 . 3.180 2.636 2.475 2.806 . 0 0 "[ . 1]" 1
327 1 18 ASP HA 1 19 ALA MB 4.560 . 4.560 4.284 4.264 4.326 . 0 0 "[ . 1]" 1
328 1 20 ALA HA 1 23 ALA MB 3.650 . 3.650 3.447 3.309 3.521 . 0 0 "[ . 1]" 1
329 1 19 ALA MB 1 59 ILE HB 3.340 . 3.340 2.188 2.107 2.258 . 0 0 "[ . 1]" 1
330 1 26 VAL HA 1 26 VAL MG2 3.290 . 3.290 2.351 2.254 2.451 . 0 0 "[ . 1]" 1
331 1 29 ASP HB2 1 30 TYR HD2 4.530 . 4.530 4.506 4.205 4.548 0.018 5 0 "[ . 1]" 1
332 1 57 GLN HA 1 58 ASP H 3.490 . 3.490 3.392 3.353 3.467 . 0 0 "[ . 1]" 1
333 1 57 GLN HA 1 59 ILE H 3.980 . 3.980 3.929 3.841 3.983 0.003 3 0 "[ . 1]" 1
334 1 57 GLN HA 1 57 GLN HB3 2.640 . 2.640 2.465 2.373 2.507 . 0 0 "[ . 1]" 1
335 1 55 SER HB2 1 69 PRO HG2 3.890 . 3.890 3.342 2.787 3.896 0.006 8 0 "[ . 1]" 1
336 1 56 LEU HB2 1 59 ILE HG12 5.500 . 5.500 5.001 4.875 5.187 . 0 0 "[ . 1]" 1
337 1 56 LEU HA 1 58 ASP H 4.390 . 4.390 3.772 3.703 3.914 . 0 0 "[ . 1]" 1
338 1 55 SER HA 1 56 LEU HA 4.500 . 4.500 4.414 4.374 4.439 . 0 0 "[ . 1]" 1
339 1 56 LEU HA 1 57 GLN HA 4.970 . 4.970 4.782 4.729 4.813 . 0 0 "[ . 1]" 1
340 1 56 LEU HA 1 59 ILE HG12 3.400 . 3.400 2.375 2.228 2.599 . 0 0 "[ . 1]" 1
341 1 56 LEU HA 1 59 ILE HB 4.020 . 4.020 3.368 3.202 3.498 . 0 0 "[ . 1]" 1
342 1 23 ALA MB 1 56 LEU HA 3.820 . 3.820 2.615 2.486 2.697 . 0 0 "[ . 1]" 1
343 1 56 LEU HA 1 59 ILE HG13 3.640 . 3.640 2.600 2.519 2.730 . 0 0 "[ . 1]" 1
344 1 56 LEU MD1 1 57 GLN H 4.850 . 4.850 3.846 3.790 3.911 . 0 0 "[ . 1]" 1
345 1 56 LEU H 1 56 LEU MD2 4.910 . 4.910 3.468 3.410 3.591 . 0 0 "[ . 1]" 1
346 1 20 ALA HA 1 56 LEU MD1 3.460 . 3.460 1.666 1.583 1.809 . 0 0 "[ . 1]" 1
347 1 20 ALA HA 1 56 LEU MD2 3.460 . 3.460 1.397 1.272 1.474 . 0 0 "[ . 1]" 1
348 1 20 ALA MB 1 56 LEU MD1 3.670 . 3.670 2.465 2.422 2.505 . 0 0 "[ . 1]" 1
349 1 56 LEU HB2 1 56 LEU MD1 3.660 . 3.660 3.200 3.196 3.204 . 0 0 "[ . 1]" 1
350 1 56 LEU HB2 1 56 LEU MD2 3.660 . 3.660 2.284 2.255 2.310 . 0 0 "[ . 1]" 1
351 1 56 LEU HB3 1 56 LEU MD1 3.490 . 3.490 2.436 2.404 2.489 . 0 0 "[ . 1]" 1
352 1 56 LEU HB3 1 56 LEU MD2 3.490 . 3.490 3.167 3.157 3.174 . 0 0 "[ . 1]" 1
353 1 55 SER HA 1 58 ASP H 4.800 . 4.800 4.222 4.156 4.285 . 0 0 "[ . 1]" 1
354 1 55 SER HB3 1 57 GLN H 4.750 . 4.750 3.626 3.324 4.113 . 0 0 "[ . 1]" 1
355 1 55 SER HB2 1 56 LEU H 4.650 . 4.650 4.398 4.265 4.481 . 0 0 "[ . 1]" 1
356 1 55 SER HB3 1 56 LEU H 4.240 . 4.240 3.735 3.469 4.167 . 0 0 "[ . 1]" 1
357 1 55 SER H 1 55 SER HB3 3.830 . 3.830 3.254 2.643 3.597 . 0 0 "[ . 1]" 1
358 1 55 SER H 1 55 SER HB2 3.900 . 3.900 2.385 2.145 2.599 . 0 0 "[ . 1]" 1
359 1 55 SER HB2 1 58 ASP HB2 4.570 . 4.570 2.552 1.952 3.506 . 0 0 "[ . 1]" 1
360 1 55 SER HB2 1 58 ASP HB3 4.570 . 4.570 2.764 1.891 3.966 . 0 0 "[ . 1]" 1
361 1 55 SER HB3 1 58 ASP HB3 4.190 . 4.190 3.020 1.994 3.530 . 0 0 "[ . 1]" 1
362 1 55 SER HB3 1 57 GLN HB2 4.160 . 4.160 3.812 3.595 4.165 0.005 1 0 "[ . 1]" 1
363 1 66 TRP HB3 1 85 VAL HB 3.800 . 3.800 3.700 3.623 3.798 . 0 0 "[ . 1]" 1
364 1 66 TRP HB2 1 85 VAL HB 3.400 . 3.400 2.008 1.932 2.103 . 0 0 "[ . 1]" 1
365 1 53 TRP HB2 1 71 THR HB 4.420 . 4.420 4.426 4.388 4.446 0.026 8 0 "[ . 1]" 1
366 1 53 TRP HB3 1 71 THR HB 4.420 . 4.420 4.451 4.436 4.462 0.042 6 0 "[ . 1]" 1
367 1 5 THR H 1 5 THR MG 4.170 . 4.170 2.515 1.962 3.027 . 0 0 "[ . 1]" 1
368 1 5 THR HA 1 5 THR MG 3.270 . 3.270 2.740 2.232 3.225 . 0 0 "[ . 1]" 1
369 1 12 PRO HA 1 13 LYS QG 3.940 . 3.940 3.450 3.350 3.535 . 0 0 "[ . 1]" 1
370 1 28 ARG HG2 1 29 ASP H 5.500 . 5.500 4.480 3.385 5.281 . 0 0 "[ . 1]" 1
371 1 28 ARG HG3 1 29 ASP H 5.500 . 5.500 4.734 4.323 5.112 . 0 0 "[ . 1]" 1
372 1 28 ARG H 1 28 ARG HG2 5.310 . 5.310 4.180 3.488 4.529 . 0 0 "[ . 1]" 1
373 1 28 ARG H 1 28 ARG HG3 5.310 . 5.310 3.774 2.266 4.539 . 0 0 "[ . 1]" 1
374 1 74 GLY HA3 1 77 ALA MB 3.610 . 3.610 2.383 2.196 2.586 . 0 0 "[ . 1]" 1
375 1 17 LEU MD2 1 21 GLY HA3 3.220 . 3.220 1.495 1.324 1.736 . 0 0 "[ . 1]" 1
376 1 45 VAL MG2 1 46 GLY H 4.130 . 4.130 3.584 2.410 3.862 . 0 0 "[ . 1]" 1
377 1 86 ASP H 1 89 ALA MB 4.970 . 4.970 4.806 4.749 4.887 . 0 0 "[ . 1]" 1
378 1 88 LYS H 1 89 ALA MB 4.460 . 4.460 4.239 4.174 4.349 . 0 0 "[ . 1]" 1
379 1 89 ALA MB 1 91 MET HA 5.010 . 5.010 4.809 4.720 4.933 . 0 0 "[ . 1]" 1
380 1 86 ASP HA 1 89 ALA MB 4.810 . 4.810 4.041 3.862 4.184 . 0 0 "[ . 1]" 1
381 1 87 CYS HA 1 89 ALA MB 5.450 . 5.450 5.399 5.340 5.457 0.007 5 0 "[ . 1]" 1
382 1 89 ALA MB 1 90 GLY HA3 4.720 . 4.720 4.419 4.367 4.506 . 0 0 "[ . 1]" 1
383 1 89 ALA MB 1 90 GLY HA2 4.630 . 4.630 4.456 4.398 4.531 . 0 0 "[ . 1]" 1
384 1 86 ASP HB3 1 89 ALA MB 3.060 . 3.060 1.768 1.584 1.973 . 0 0 "[ . 1]" 1
385 1 86 ASP HB2 1 89 ALA MB 3.090 . 3.090 2.937 2.631 3.097 0.007 3 0 "[ . 1]" 1
386 1 9 VAL MG2 1 10 THR H 4.790 . 4.790 2.491 2.266 4.074 . 0 0 "[ . 1]" 1
387 1 28 ARG HA 1 28 ARG HD2 5.330 . 5.330 4.050 2.041 4.673 . 0 0 "[ . 1]" 1
388 1 28 ARG HA 1 28 ARG HD3 5.330 . 5.330 4.345 3.303 4.729 . 0 0 "[ . 1]" 1
389 1 31 GLN HA 1 31 GLN HG2 4.040 . 4.040 2.902 2.468 3.154 . 0 0 "[ . 1]" 1
390 1 31 GLN HA 1 31 GLN HG3 4.040 . 4.040 3.051 2.503 3.688 . 0 0 "[ . 1]" 1
391 1 28 ARG HA 1 28 ARG HG2 4.030 . 4.030 2.998 2.430 3.641 . 0 0 "[ . 1]" 1
392 1 28 ARG HA 1 28 ARG HG3 4.030 . 4.030 2.711 2.396 3.043 . 0 0 "[ . 1]" 1
393 1 63 ASP HB2 1 64 ASP H 3.540 . 3.540 3.433 3.332 3.526 . 0 0 "[ . 1]" 1
394 1 63 ASP HB2 1 65 LYS H 5.150 . 5.150 4.710 4.380 5.013 . 0 0 "[ . 1]" 1
395 1 63 ASP HB3 1 65 LYS HD3 5.500 . 5.500 4.250 2.949 5.240 . 0 0 "[ . 1]" 1
396 1 30 TYR HB2 1 31 GLN H 5.130 . 5.130 2.674 2.475 2.822 . 0 0 "[ . 1]" 1
397 1 30 TYR HB3 1 30 TYR HE1 4.890 . 4.890 4.757 4.697 4.803 . 0 0 "[ . 1]" 1
398 1 13 LYS HA 1 13 LYS HB2 3.020 . 3.020 3.000 2.986 3.014 . 0 0 "[ . 1]" 1
399 1 13 LYS HA 1 13 LYS QG 3.490 . 3.490 2.567 2.487 2.657 . 0 0 "[ . 1]" 1
400 1 27 LYS HA 1 29 ASP H 4.700 . 4.700 4.329 4.272 4.428 . 0 0 "[ . 1]" 1
401 1 27 LYS HA 1 31 GLN H 5.090 . 5.090 4.185 3.998 4.328 . 0 0 "[ . 1]" 1
402 1 27 LYS HA 1 27 LYS HG2 3.980 . 3.980 2.842 2.727 3.026 . 0 0 "[ . 1]" 1
403 1 27 LYS HA 1 27 LYS HG3 3.980 . 3.980 2.894 2.470 3.139 . 0 0 "[ . 1]" 1
404 1 25 SER H 1 27 LYS HD3 5.500 . 5.500 4.999 4.478 5.514 0.014 4 0 "[ . 1]" 1
405 1 27 LYS H 1 27 LYS HD3 4.300 . 4.300 3.690 3.251 4.007 . 0 0 "[ . 1]" 1
406 1 64 ASP HB3 1 88 LYS HG3 4.320 . 4.320 2.985 2.791 3.209 . 0 0 "[ . 1]" 1
407 1 15 GLU HA 1 88 LYS HG2 4.370 . 4.370 3.458 3.115 3.615 . 0 0 "[ . 1]" 1
408 1 26 VAL HA 1 30 TYR HE2 4.400 . 4.400 4.160 3.704 4.409 0.009 7 0 "[ . 1]" 1
409 1 26 VAL HA 1 29 ASP HA 5.390 . 5.390 4.890 4.535 5.274 . 0 0 "[ . 1]" 1
410 1 26 VAL HA 1 29 ASP HB3 4.300 . 4.300 3.439 3.128 3.719 . 0 0 "[ . 1]" 1
411 1 26 VAL HA 1 29 ASP HB2 3.910 . 3.910 2.251 1.863 2.644 . 0 0 "[ . 1]" 1
412 1 26 VAL HA 1 26 VAL MG1 3.290 . 3.290 2.714 2.348 3.224 . 0 0 "[ . 1]" 1
413 1 25 SER HA 1 28 ARG H 3.870 . 3.870 3.260 3.055 3.362 . 0 0 "[ . 1]" 1
414 1 24 ALA MB 1 25 SER HA 4.060 . 4.060 3.842 3.782 3.892 . 0 0 "[ . 1]" 1
415 1 24 ALA HA 1 26 VAL H 5.090 . 5.090 4.459 4.321 4.621 . 0 0 "[ . 1]" 1
416 1 20 ALA HA 1 22 ILE H 4.760 . 4.760 4.501 4.467 4.566 . 0 0 "[ . 1]" 1
417 1 23 ALA H 1 24 ALA HA 5.500 . 5.500 5.400 5.352 5.452 . 0 0 "[ . 1]" 1
418 1 24 ALA HA 1 27 LYS H 3.750 . 3.750 3.448 3.286 3.565 . 0 0 "[ . 1]" 1
419 1 20 ALA HA 1 24 ALA H 5.230 . 5.230 4.862 4.598 5.030 . 0 0 "[ . 1]" 1
420 1 23 ALA HA 1 24 ALA HA 4.820 . 4.820 4.765 4.736 4.786 . 0 0 "[ . 1]" 1
421 1 19 ALA HA 1 20 ALA HA 4.830 . 4.830 4.811 4.792 4.832 0.002 2 0 "[ . 1]" 1
422 1 23 ALA MB 1 24 ALA HA 3.890 . 3.890 3.806 3.780 3.851 . 0 0 "[ . 1]" 1
423 1 20 ALA HA 1 56 LEU HB3 4.680 . 4.680 4.704 4.699 4.711 0.031 3 0 "[ . 1]" 1
424 1 22 ILE H 1 24 ALA MB 5.130 . 5.130 4.974 4.853 5.118 . 0 0 "[ . 1]" 1
425 1 23 ALA H 1 24 ALA MB 4.620 . 4.620 4.482 4.421 4.552 . 0 0 "[ . 1]" 1
426 1 24 ALA MB 1 27 LYS H 5.400 . 5.400 4.614 4.506 4.685 . 0 0 "[ . 1]" 1
427 1 24 ALA MB 1 28 ARG H 5.500 . 5.500 4.570 4.557 4.598 . 0 0 "[ . 1]" 1
428 1 21 GLY HA3 1 24 ALA MB 4.270 . 4.270 4.152 4.014 4.273 0.003 8 0 "[ . 1]" 1
429 1 23 ALA HA 1 25 SER H 4.570 . 4.570 4.399 4.322 4.481 . 0 0 "[ . 1]" 1
430 1 23 ALA HA 1 27 LYS H 4.720 . 4.720 4.006 3.903 4.093 . 0 0 "[ . 1]" 1
431 1 23 ALA HA 1 26 VAL HB 4.070 . 4.070 3.225 2.549 4.078 0.008 8 0 "[ . 1]" 1
432 1 23 ALA HA 1 54 VAL HB 5.010 . 5.010 4.673 4.512 5.006 . 0 0 "[ . 1]" 1
433 1 23 ALA HA 1 59 ILE HG13 4.200 . 4.200 3.562 3.266 3.749 . 0 0 "[ . 1]" 1
434 1 19 ALA HA 1 23 ALA H 4.110 . 4.110 3.852 3.807 3.905 . 0 0 "[ . 1]" 1
435 1 19 ALA HA 1 66 TRP HE3 4.880 . 4.880 4.418 4.172 4.504 . 0 0 "[ . 1]" 1
436 1 19 ALA HA 1 66 TRP HZ3 4.150 . 4.150 3.848 3.449 4.004 . 0 0 "[ . 1]" 1
437 1 19 ALA HA 1 59 ILE MG 3.200 . 3.200 2.149 1.989 2.238 . 0 0 "[ . 1]" 1
438 1 19 ALA HA 1 22 ILE HG12 4.320 . 4.320 3.357 3.246 3.457 . 0 0 "[ . 1]" 1
439 1 19 ALA HA 1 22 ILE MG 3.320 . 3.320 3.222 3.188 3.266 . 0 0 "[ . 1]" 1
440 1 23 ALA MB 1 55 SER HA 4.760 . 4.760 4.724 4.510 4.772 0.012 7 0 "[ . 1]" 1
441 1 22 ILE MD 1 23 ALA H 4.710 . 4.710 4.230 4.201 4.251 . 0 0 "[ . 1]" 1
442 1 14 CYS H 1 22 ILE MD 5.500 . 5.500 4.933 4.866 5.000 . 0 0 "[ . 1]" 1
443 1 22 ILE MD 1 25 SER H 5.500 . 5.500 4.891 4.828 4.966 . 0 0 "[ . 1]" 1
444 1 17 LEU H 1 22 ILE MD 5.100 . 5.100 3.836 3.716 3.919 . 0 0 "[ . 1]" 1
445 1 22 ILE MD 1 66 TRP HH2 5.300 . 5.300 4.629 4.424 4.873 . 0 0 "[ . 1]" 1
446 1 22 ILE MD 1 66 TRP HD1 4.460 . 4.460 4.219 4.074 4.347 . 0 0 "[ . 1]" 1
447 1 14 CYS HA 1 22 ILE MD 4.600 . 4.600 4.012 3.969 4.071 . 0 0 "[ . 1]" 1
448 1 14 CYS HB2 1 22 ILE MD 3.440 . 3.440 1.960 1.901 1.996 . 0 0 "[ . 1]" 1
449 1 22 ILE HA 1 22 ILE MD 3.280 . 3.280 2.159 2.091 2.271 . 0 0 "[ . 1]" 1
450 1 19 ALA HA 1 22 ILE MD 4.570 . 4.570 3.311 3.162 3.486 . 0 0 "[ . 1]" 1
451 1 14 CYS HB3 1 22 ILE MD 3.940 . 3.940 2.330 2.230 2.419 . 0 0 "[ . 1]" 1
452 1 17 LEU HB3 1 22 ILE MD 3.650 . 3.650 1.884 1.837 1.927 . 0 0 "[ . 1]" 1
453 1 17 LEU HG 1 22 ILE MD 4.460 . 4.460 4.145 4.113 4.193 . 0 0 "[ . 1]" 1
454 1 17 LEU HB2 1 22 ILE MD 3.910 . 3.910 2.383 2.296 2.428 . 0 0 "[ . 1]" 1
455 1 17 LEU MD1 1 22 ILE MD 3.070 . 3.070 2.658 2.615 2.725 . 0 0 "[ . 1]" 1
456 1 22 ILE H 1 22 ILE HG12 3.830 . 3.830 3.848 3.846 3.851 0.021 3 0 "[ . 1]" 1
457 1 22 ILE HG12 1 23 ALA H 5.130 . 5.130 4.980 4.931 5.039 . 0 0 "[ . 1]" 1
458 1 22 ILE HG12 1 66 TRP HZ2 5.180 . 5.180 3.386 3.272 3.580 . 0 0 "[ . 1]" 1
459 1 22 ILE HA 1 22 ILE HG12 4.110 . 4.110 3.576 3.572 3.583 . 0 0 "[ . 1]" 1
460 1 17 LEU HB3 1 22 ILE HG12 4.680 . 4.680 4.609 4.544 4.681 0.001 1 0 "[ . 1]" 1
461 1 19 ALA MB 1 22 ILE HG12 4.990 . 4.990 4.699 4.597 4.811 . 0 0 "[ . 1]" 1
462 1 22 ILE HG12 1 59 ILE MG 3.880 . 3.880 3.797 3.642 3.883 0.003 8 0 "[ . 1]" 1
463 1 22 ILE HG12 1 22 ILE MG 3.570 . 3.570 2.383 2.335 2.414 . 0 0 "[ . 1]" 1
464 1 22 ILE H 1 22 ILE HG13 4.260 . 4.260 3.998 3.916 4.045 . 0 0 "[ . 1]" 1
465 1 22 ILE HG13 1 66 TRP HD1 5.060 . 5.060 3.332 3.209 3.474 . 0 0 "[ . 1]" 1
466 1 14 CYS HB2 1 22 ILE HG13 5.220 . 5.220 3.390 3.185 3.533 . 0 0 "[ . 1]" 1
467 1 19 ALA HA 1 22 ILE HG13 4.830 . 4.830 4.695 4.601 4.804 . 0 0 "[ . 1]" 1
468 1 17 LEU HB3 1 22 ILE HG13 4.680 . 4.680 4.393 4.345 4.461 . 0 0 "[ . 1]" 1
469 1 22 ILE HG13 1 59 ILE MG 4.820 . 4.820 4.729 4.584 4.820 . 0 0 "[ . 1]" 1
470 1 22 ILE HG13 1 22 ILE MG 3.720 . 3.720 2.312 2.291 2.350 . 0 0 "[ . 1]" 1
471 1 22 ILE HG12 1 66 TRP HE1 5.110 . 5.110 2.666 2.540 2.875 . 0 0 "[ . 1]" 1
472 1 22 ILE MG 1 67 SER H 5.050 . 5.050 4.753 4.614 4.924 . 0 0 "[ . 1]" 1
473 1 22 ILE MG 1 66 TRP H 5.480 . 5.480 5.106 4.924 5.311 . 0 0 "[ . 1]" 1
474 1 22 ILE MG 1 23 ALA H 3.270 . 3.270 2.609 2.549 2.691 . 0 0 "[ . 1]" 1
475 1 22 ILE MG 1 25 SER H 4.950 . 4.950 4.560 4.437 4.694 . 0 0 "[ . 1]" 1
476 1 22 ILE MG 1 27 LYS H 5.460 . 5.460 5.447 5.359 5.473 0.013 1 0 "[ . 1]" 1
477 1 22 ILE MG 1 24 ALA H 4.900 . 4.900 4.581 4.433 4.772 . 0 0 "[ . 1]" 1
478 1 22 ILE MG 1 66 TRP HZ2 5.360 . 5.360 4.962 4.924 5.019 . 0 0 "[ . 1]" 1
479 1 22 ILE MG 1 66 TRP HE3 4.040 . 4.040 3.584 3.356 3.703 . 0 0 "[ . 1]" 1
480 1 22 ILE MG 1 66 TRP HD1 4.050 . 4.050 3.582 3.461 3.752 . 0 0 "[ . 1]" 1
481 1 22 ILE MG 1 66 TRP HA 4.880 . 4.880 4.736 4.694 4.765 . 0 0 "[ . 1]" 1
482 1 22 ILE MG 1 68 VAL HA 5.500 . 5.500 5.040 4.708 5.390 . 0 0 "[ . 1]" 1
483 1 22 ILE MG 1 23 ALA HA 3.140 . 3.140 2.785 2.693 2.922 . 0 0 "[ . 1]" 1
484 1 22 ILE MG 1 66 TRP HB3 3.520 . 3.520 2.793 2.723 2.828 . 0 0 "[ . 1]" 1
485 1 22 ILE MG 1 66 TRP HB2 3.720 . 3.720 2.957 2.896 3.059 . 0 0 "[ . 1]" 1
486 1 22 ILE MG 1 26 VAL HB 4.220 . 4.220 3.631 2.987 4.070 . 0 0 "[ . 1]" 1
487 1 22 ILE MG 1 85 VAL HB 4.410 . 4.410 3.966 3.815 4.051 . 0 0 "[ . 1]" 1
488 1 22 ILE MG 1 23 ALA MB 3.540 . 3.540 3.351 3.268 3.467 . 0 0 "[ . 1]" 1
489 1 22 ILE MG 1 59 ILE MG 2.810 . 2.810 2.327 2.222 2.468 . 0 0 "[ . 1]" 1
490 1 22 ILE MD 1 22 ILE MG 3.390 . 3.390 3.248 3.239 3.254 . 0 0 "[ . 1]" 1
491 1 22 ILE MG 1 66 TRP HE1 4.490 . 4.490 4.229 4.153 4.361 . 0 0 "[ . 1]" 1
492 1 20 ALA H 1 21 GLY HA2 5.500 . 5.500 5.274 5.229 5.311 . 0 0 "[ . 1]" 1
493 1 20 ALA H 1 21 GLY HA3 5.090 . 5.090 4.926 4.872 4.986 . 0 0 "[ . 1]" 1
494 1 17 LEU HA 1 21 GLY HA3 5.060 . 5.060 4.214 4.004 4.426 . 0 0 "[ . 1]" 1
495 1 17 LEU HB3 1 21 GLY HA2 5.340 . 5.340 4.706 4.466 4.892 . 0 0 "[ . 1]" 1
496 1 21 GLY HA2 1 24 ALA MB 3.440 . 3.440 2.831 2.668 2.916 . 0 0 "[ . 1]" 1
497 1 20 ALA MB 1 22 ILE H 4.380 . 4.380 4.345 4.316 4.387 0.007 2 0 "[ . 1]" 1
498 1 18 ASP H 1 20 ALA MB 4.390 . 4.390 4.323 4.232 4.394 0.004 3 0 "[ . 1]" 1
499 1 20 ALA MB 1 21 GLY HA3 4.030 . 4.030 4.032 4.023 4.036 0.006 9 0 "[ . 1]" 1
500 1 20 ALA MB 1 56 LEU MD2 3.670 . 3.670 2.816 2.769 2.868 . 0 0 "[ . 1]" 1
501 1 17 LEU HA 1 17 LEU HG 3.570 . 3.570 2.773 2.730 2.810 . 0 0 "[ . 1]" 1
502 1 16 ASP H 1 17 LEU HB3 5.500 . 5.500 5.505 5.492 5.511 0.011 10 0 "[ . 1]" 1
503 1 17 LEU HB2 1 22 ILE H 5.490 . 5.490 4.819 4.581 4.999 . 0 0 "[ . 1]" 1
504 1 17 LEU H 1 17 LEU HB3 3.670 . 3.670 3.474 3.460 3.490 . 0 0 "[ . 1]" 1
505 1 17 LEU HB2 1 18 ASP H 4.250 . 4.250 4.053 3.998 4.090 . 0 0 "[ . 1]" 1
506 1 14 CYS HA 1 17 LEU HB2 5.040 . 5.040 2.915 2.747 2.985 . 0 0 "[ . 1]" 1
507 1 14 CYS HB2 1 17 LEU HB3 4.000 . 4.000 3.337 3.276 3.418 . 0 0 "[ . 1]" 1
508 1 17 LEU HB3 1 21 GLY HA3 4.480 . 4.480 3.061 2.810 3.236 . 0 0 "[ . 1]" 1
509 1 14 CYS HB2 1 17 LEU HB2 4.050 . 4.050 2.185 2.113 2.245 . 0 0 "[ . 1]" 1
510 1 17 LEU HB2 1 21 GLY HA3 5.460 . 5.460 4.606 4.375 4.798 . 0 0 "[ . 1]" 1
511 1 17 LEU HB2 1 22 ILE HA 5.500 . 5.500 4.608 4.449 4.815 . 0 0 "[ . 1]" 1
512 1 14 CYS HB3 1 17 LEU HB2 4.470 . 4.470 2.232 2.051 2.366 . 0 0 "[ . 1]" 1
513 1 17 LEU HB2 1 17 LEU MD1 3.140 . 3.140 2.281 2.260 2.296 . 0 0 "[ . 1]" 1
514 1 17 LEU HB2 1 22 ILE HG12 5.340 . 5.340 5.081 4.991 5.125 . 0 0 "[ . 1]" 1
515 1 17 LEU MD1 1 22 ILE H 4.510 . 4.510 3.850 3.723 4.013 . 0 0 "[ . 1]" 1
516 1 17 LEU MD1 1 21 GLY H 4.950 . 4.950 4.666 4.526 4.807 . 0 0 "[ . 1]" 1
517 1 17 LEU MD1 1 25 SER H 5.390 . 5.390 4.105 3.918 4.396 . 0 0 "[ . 1]" 1
518 1 17 LEU MD1 1 18 ASP H 4.480 . 4.480 4.487 4.482 4.492 0.012 10 0 "[ . 1]" 1
519 1 17 LEU HA 1 17 LEU MD1 3.990 . 3.990 3.796 3.783 3.809 . 0 0 "[ . 1]" 1
520 1 13 LYS HA 1 17 LEU MD1 5.480 . 5.480 5.121 4.800 5.387 . 0 0 "[ . 1]" 1
521 1 17 LEU MD1 1 25 SER HA 5.500 . 5.500 4.691 4.408 4.936 . 0 0 "[ . 1]" 1
522 1 14 CYS HB2 1 17 LEU MD1 3.200 . 3.200 3.197 3.185 3.204 0.004 5 0 "[ . 1]" 1
523 1 17 LEU MD1 1 22 ILE HA 3.770 . 3.770 3.237 3.140 3.404 . 0 0 "[ . 1]" 1
524 1 14 CYS HB3 1 17 LEU MD1 3.420 . 3.420 1.931 1.847 2.005 . 0 0 "[ . 1]" 1
525 1 17 LEU HB3 1 17 LEU MD1 3.190 . 3.190 2.395 2.369 2.421 . 0 0 "[ . 1]" 1
526 1 17 LEU MD1 1 22 ILE HG13 4.950 . 4.950 4.414 4.287 4.462 . 0 0 "[ . 1]" 1
527 1 14 CYS H 1 17 LEU MD1 4.710 . 4.710 4.553 4.339 4.711 0.001 8 0 "[ . 1]" 1
528 1 15 GLU H 1 15 GLU HA 2.900 . 2.900 2.867 2.860 2.876 . 0 0 "[ . 1]" 1
529 1 14 CYS H 1 15 GLU HA 4.340 . 4.340 4.308 4.210 4.347 0.007 4 0 "[ . 1]" 1
530 1 15 GLU HA 1 17 LEU H 4.870 . 4.870 4.288 4.228 4.354 . 0 0 "[ . 1]" 1
531 1 14 CYS HA 1 15 GLU HA 5.060 . 5.060 4.460 4.449 4.479 . 0 0 "[ . 1]" 1
532 1 15 GLU HA 1 16 ASP HA 4.790 . 4.790 4.605 4.564 4.629 . 0 0 "[ . 1]" 1
533 1 15 GLU HA 1 88 LYS HE2 5.500 . 5.500 3.982 2.217 5.242 . 0 0 "[ . 1]" 1
534 1 15 GLU HA 1 88 LYS HE3 5.500 . 5.500 4.742 3.939 5.505 0.005 9 0 "[ . 1]" 1
535 1 15 GLU HA 1 87 CYS HB3 3.660 . 3.660 3.539 3.441 3.661 0.001 4 0 "[ . 1]" 1
536 1 15 GLU HA 1 15 GLU HB3 2.990 . 2.990 2.503 2.467 2.526 . 0 0 "[ . 1]" 1
537 1 15 GLU HB3 1 16 ASP H 3.330 . 3.330 3.338 3.330 3.344 0.014 6 0 "[ . 1]" 1
538 1 31 GLN H 1 32 GLN HB2 5.500 . 5.500 4.995 4.854 5.198 . 0 0 "[ . 1]" 1
539 1 31 GLN H 1 32 GLN HB3 5.500 . 5.500 4.987 4.798 5.226 . 0 0 "[ . 1]" 1
540 1 23 ALA H 1 59 ILE HG12 5.380 . 5.380 4.777 4.694 4.849 . 0 0 "[ . 1]" 1
541 1 59 ILE HG12 1 60 GLN H 5.500 . 5.500 4.868 4.798 4.922 . 0 0 "[ . 1]" 1
542 1 15 GLU HB2 1 16 ASP HA 4.720 . 4.720 4.523 4.425 4.647 . 0 0 "[ . 1]" 1
543 1 15 GLU H 1 15 GLU HG2 3.690 . 3.690 3.484 3.292 3.641 . 0 0 "[ . 1]" 1
544 1 14 CYS H 1 15 GLU HG2 5.500 . 5.500 4.699 4.403 4.925 . 0 0 "[ . 1]" 1
545 1 14 CYS H 1 15 GLU HG3 5.500 . 5.500 4.308 4.095 4.470 . 0 0 "[ . 1]" 1
546 1 14 CYS HB2 1 15 GLU H 4.470 . 4.470 4.073 4.042 4.093 . 0 0 "[ . 1]" 1
547 1 14 CYS HB3 1 15 GLU H 5.380 . 5.380 4.329 4.285 4.365 . 0 0 "[ . 1]" 1
548 1 14 CYS HB2 1 17 LEU H 4.860 . 4.860 3.453 3.368 3.605 . 0 0 "[ . 1]" 1
549 1 14 CYS HB3 1 17 LEU H 5.500 . 5.500 4.082 3.959 4.220 . 0 0 "[ . 1]" 1
550 1 64 ASP HB2 1 87 CYS HB2 3.680 . 3.680 1.944 1.677 2.320 . 0 0 "[ . 1]" 1
551 1 14 CYS HB2 1 87 CYS HB2 5.020 . 5.020 4.200 4.109 4.305 . 0 0 "[ . 1]" 1
552 1 14 CYS HB3 1 87 CYS HB3 4.690 . 4.690 4.201 4.117 4.279 . 0 0 "[ . 1]" 1
553 1 14 CYS HB2 1 87 CYS HB3 4.590 . 4.590 3.217 3.108 3.326 . 0 0 "[ . 1]" 1
554 1 14 CYS HB2 1 22 ILE HG12 4.590 . 4.590 4.126 4.006 4.186 . 0 0 "[ . 1]" 1
555 1 14 CYS HB2 1 22 ILE MG 5.500 . 5.500 5.158 5.021 5.286 . 0 0 "[ . 1]" 1
556 1 14 CYS HB3 1 17 LEU HB3 4.540 . 4.540 3.059 2.864 3.193 . 0 0 "[ . 1]" 1
557 1 14 CYS HB3 1 22 ILE HG12 4.810 . 4.810 4.675 4.518 4.782 . 0 0 "[ . 1]" 1
558 1 13 LYS HB2 1 87 CYS H 4.730 . 4.730 4.613 4.390 4.729 . 0 0 "[ . 1]" 1
559 1 13 LYS H 1 13 LYS HB3 3.770 . 3.770 3.632 3.618 3.658 . 0 0 "[ . 1]" 1
560 1 11 PHE H 1 12 PRO HD2 5.500 . 5.500 5.065 4.703 5.220 . 0 0 "[ . 1]" 1
561 1 11 PHE H 1 12 PRO HD3 5.500 . 5.500 4.333 4.081 4.584 . 0 0 "[ . 1]" 1
562 1 10 THR H 1 10 THR HB 3.470 . 3.470 3.089 2.685 3.417 . 0 0 "[ . 1]" 1
563 1 10 THR HB 1 11 PHE H 4.400 . 4.400 4.215 4.102 4.301 . 0 0 "[ . 1]" 1
564 1 9 VAL HA 1 10 THR HB 4.980 . 4.980 4.604 4.476 4.824 . 0 0 "[ . 1]" 1
565 1 15 GLU H 1 15 GLU HG3 3.690 . 3.690 2.495 2.279 2.623 . 0 0 "[ . 1]" 1
566 1 4 GLU HB3 1 5 THR H 5.150 . 5.150 4.186 3.696 4.454 . 0 0 "[ . 1]" 1
567 1 4 GLU HB2 1 5 THR H 5.150 . 5.150 4.211 3.423 4.631 . 0 0 "[ . 1]" 1
568 1 4 GLU H 1 4 GLU HG2 5.050 . 5.050 3.969 2.574 4.899 . 0 0 "[ . 1]" 1
569 1 4 GLU H 1 4 GLU HG3 5.050 . 5.050 4.196 2.453 5.017 . 0 0 "[ . 1]" 1
570 1 4 GLU HG2 1 5 THR H 5.500 . 5.500 3.949 2.341 4.833 . 0 0 "[ . 1]" 1
571 1 4 GLU HG3 1 5 THR H 5.500 . 5.500 4.687 3.493 5.498 . 0 0 "[ . 1]" 1
572 1 66 TRP H 1 66 TRP HD1 3.480 . 3.480 3.031 2.784 3.190 . 0 0 "[ . 1]" 1
573 1 65 LYS HA 1 66 TRP HD1 3.650 . 3.650 3.399 3.292 3.471 . 0 0 "[ . 1]" 1
574 1 66 TRP HD1 1 87 CYS HB2 4.830 . 4.830 4.415 4.225 4.619 . 0 0 "[ . 1]" 1
575 1 66 TRP HB2 1 66 TRP HD1 3.350 . 3.350 2.660 2.635 2.675 . 0 0 "[ . 1]" 1
576 1 66 TRP HD1 1 85 VAL HB 3.450 . 3.450 3.144 3.095 3.266 . 0 0 "[ . 1]" 1
577 1 22 ILE HG12 1 66 TRP HD1 4.530 . 4.530 3.442 3.220 3.675 . 0 0 "[ . 1]" 1
578 1 66 TRP HD1 1 85 VAL MG1 3.550 . 3.550 2.971 2.934 3.003 . 0 0 "[ . 1]" 1
579 1 66 TRP HD1 1 85 VAL MG2 4.480 . 4.480 4.467 4.381 4.494 0.014 4 0 "[ . 1]" 1
580 1 66 TRP HB3 1 66 TRP HE3 3.590 . 3.590 2.566 2.529 2.609 . 0 0 "[ . 1]" 1
581 1 66 TRP HB3 1 66 TRP HZ3 5.060 . 5.060 4.946 4.916 4.985 . 0 0 "[ . 1]" 1
582 1 18 ASP HA 1 66 TRP HH2 4.050 . 4.050 3.776 3.323 4.056 0.006 2 0 "[ . 1]" 1
583 1 19 ALA HA 1 66 TRP HH2 4.140 . 4.140 3.826 3.710 3.955 . 0 0 "[ . 1]" 1
584 1 19 ALA MB 1 66 TRP HH2 3.420 . 3.420 2.948 2.678 3.144 . 0 0 "[ . 1]" 1
585 1 59 ILE MG 1 66 TRP HH2 4.030 . 4.030 4.044 4.039 4.047 0.017 8 0 "[ . 1]" 1
586 1 18 ASP HA 1 66 TRP HZ2 3.700 . 3.700 3.239 2.739 3.542 . 0 0 "[ . 1]" 1
587 1 19 ALA HA 1 66 TRP HZ2 5.000 . 5.000 4.383 4.220 4.611 . 0 0 "[ . 1]" 1
588 1 22 ILE MD 1 66 TRP HZ2 4.490 . 4.490 3.316 3.170 3.480 . 0 0 "[ . 1]" 1
589 1 53 TRP H 1 53 TRP HD1 4.390 . 4.390 2.727 2.561 3.000 . 0 0 "[ . 1]" 1
590 1 53 TRP HA 1 53 TRP HD1 4.860 . 4.860 4.387 4.368 4.420 . 0 0 "[ . 1]" 1
591 1 53 TRP HD1 1 71 THR HB 4.280 . 4.280 3.165 2.950 3.413 . 0 0 "[ . 1]" 1
592 1 53 TRP HA 1 53 TRP HE3 4.350 . 4.350 4.355 4.351 4.363 0.013 4 0 "[ . 1]" 1
593 1 29 ASP HB3 1 30 TYR HD2 4.360 . 4.360 3.906 3.255 4.369 0.009 8 0 "[ . 1]" 1
594 1 29 ASP HB3 1 30 TYR HE1 5.240 . 5.240 5.061 4.858 5.244 0.004 7 0 "[ . 1]" 1
595 1 30 TYR HE1 1 83 VAL MG2 3.310 . 3.310 3.126 2.795 3.314 0.004 9 0 "[ . 1]" 1
596 1 30 TYR HE1 1 83 VAL MG1 3.860 . 3.860 3.451 3.357 3.538 . 0 0 "[ . 1]" 1
597 1 30 TYR HB2 1 30 TYR HE2 4.710 . 4.710 4.621 4.602 4.650 . 0 0 "[ . 1]" 1
598 1 30 TYR HE2 1 54 VAL HB 5.340 . 5.340 4.500 3.799 5.203 . 0 0 "[ . 1]" 1
599 1 10 THR HA 1 11 PHE QD 4.650 . 4.650 3.488 3.231 3.988 . 0 0 "[ . 1]" 1
600 1 11 PHE QD 1 13 LYS QG 4.290 . 4.290 3.733 3.265 4.163 . 0 0 "[ . 1]" 1
601 1 11 PHE QE 1 13 LYS HA 4.490 . 4.490 4.045 3.432 4.474 . 0 0 "[ . 1]" 1
602 1 31 GLN H 1 32 GLN H 4.030 . 4.030 2.690 2.634 2.786 . 0 0 "[ . 1]" 1
603 1 32 GLN H 1 32 GLN HB2 4.020 . 4.020 2.510 2.389 2.654 . 0 0 "[ . 1]" 1
604 1 32 GLN H 1 32 GLN HB3 4.020 . 4.020 2.553 2.418 2.666 . 0 0 "[ . 1]" 1
605 1 30 TYR H 1 30 TYR HB2 3.400 . 3.400 2.558 2.520 2.582 . 0 0 "[ . 1]" 1
606 1 29 ASP HB2 1 30 TYR H 3.850 . 3.850 3.132 2.840 3.427 . 0 0 "[ . 1]" 1
607 1 27 LYS HA 1 30 TYR H 4.060 . 4.060 3.848 3.633 4.061 0.001 3 0 "[ . 1]" 1
608 1 26 VAL HA 1 30 TYR H 5.070 . 5.070 4.378 4.234 4.539 . 0 0 "[ . 1]" 1
609 1 71 THR H 1 71 THR HB 3.860 . 3.860 3.077 2.801 3.408 . 0 0 "[ . 1]" 1
610 1 53 TRP H 1 71 THR H 4.320 . 4.320 3.285 2.787 4.145 . 0 0 "[ . 1]" 1
611 1 70 LEU HA 1 71 THR H 3.350 . 3.350 2.138 2.093 2.195 . 0 0 "[ . 1]" 1
612 1 71 THR H 1 79 ILE MD 5.110 . 5.110 3.749 2.108 5.108 . 0 0 "[ . 1]" 1
613 1 56 LEU H 1 57 GLN HB2 4.990 . 4.990 4.943 4.842 4.996 0.006 6 0 "[ . 1]" 1
614 1 55 SER HA 1 56 LEU H 2.800 . 2.800 2.159 2.137 2.177 . 0 0 "[ . 1]" 1
615 1 56 LEU H 1 56 LEU HB3 3.110 . 3.110 3.014 2.935 3.044 . 0 0 "[ . 1]" 1
616 1 56 LEU H 1 56 LEU HB2 3.230 . 3.230 2.117 2.098 2.155 . 0 0 "[ . 1]" 1
617 1 23 ALA MB 1 56 LEU H 4.510 . 4.510 3.917 3.681 4.050 . 0 0 "[ . 1]" 1
618 1 56 LEU H 1 56 LEU MD1 4.910 . 4.910 4.230 4.211 4.252 . 0 0 "[ . 1]" 1
619 1 53 TRP H 1 53 TRP HE1 5.320 . 5.320 4.680 4.547 4.862 . 0 0 "[ . 1]" 1
620 1 68 VAL H 1 83 VAL HA 5.080 . 5.080 4.650 4.435 4.928 . 0 0 "[ . 1]" 1
621 1 68 VAL H 1 85 VAL MG2 4.130 . 4.130 3.668 3.279 3.964 . 0 0 "[ . 1]" 1
622 1 68 VAL H 1 84 SER HA 4.620 . 4.620 4.021 3.729 4.358 . 0 0 "[ . 1]" 1
623 1 67 SER HB3 1 68 VAL H 4.080 . 4.080 4.052 3.944 4.085 0.005 3 0 "[ . 1]" 1
624 1 67 SER HB2 1 68 VAL H 4.510 . 4.510 4.283 4.174 4.409 . 0 0 "[ . 1]" 1
625 1 68 VAL H 1 68 VAL HB 3.060 . 3.060 2.541 2.450 2.576 . 0 0 "[ . 1]" 1
626 1 68 VAL H 1 83 VAL HB 3.590 . 3.590 3.133 2.812 3.330 . 0 0 "[ . 1]" 1
627 1 68 VAL H 1 83 VAL MG2 4.340 . 4.340 4.289 4.109 4.352 0.012 10 0 "[ . 1]" 1
628 1 68 VAL H 1 83 VAL MG1 4.310 . 4.310 4.164 3.742 4.311 0.001 9 0 "[ . 1]" 1
629 1 66 TRP H 1 85 VAL H 3.460 . 3.460 2.790 2.615 3.006 . 0 0 "[ . 1]" 1
630 1 66 TRP HB3 1 85 VAL H 5.000 . 5.000 4.701 4.572 4.863 . 0 0 "[ . 1]" 1
631 1 66 TRP HB2 1 85 VAL H 4.130 . 4.130 3.597 3.467 3.810 . 0 0 "[ . 1]" 1
632 1 85 VAL H 1 85 VAL HB 3.190 . 3.190 2.513 2.464 2.541 . 0 0 "[ . 1]" 1
633 1 85 VAL H 1 85 VAL MG2 3.260 . 3.260 2.388 2.302 2.493 . 0 0 "[ . 1]" 1
634 1 84 SER HA 1 85 VAL H 2.790 . 2.790 2.140 2.118 2.172 . 0 0 "[ . 1]" 1
635 1 85 VAL H 1 85 VAL MG1 3.890 . 3.890 3.797 3.771 3.817 . 0 0 "[ . 1]" 1
636 1 22 ILE H 1 25 SER H 4.990 . 4.990 4.674 4.604 4.741 . 0 0 "[ . 1]" 1
637 1 17 LEU HB3 1 22 ILE H 3.910 . 3.910 3.272 3.084 3.419 . 0 0 "[ . 1]" 1
638 1 20 ALA H 1 22 ILE H 4.010 . 4.010 3.823 3.773 3.929 . 0 0 "[ . 1]" 1
639 1 19 ALA HA 1 22 ILE H 3.540 . 3.540 3.365 3.304 3.447 . 0 0 "[ . 1]" 1
640 1 17 LEU MD2 1 22 ILE H 3.920 . 3.920 3.681 3.571 3.816 . 0 0 "[ . 1]" 1
641 1 22 ILE H 1 22 ILE MD 3.600 . 3.600 2.272 2.206 2.310 . 0 0 "[ . 1]" 1
642 1 22 ILE H 1 22 ILE MG 3.620 . 3.620 3.621 3.616 3.630 0.010 2 0 "[ . 1]" 1
643 1 53 TRP HD1 1 73 ARG H 4.950 . 4.950 3.828 3.090 4.746 . 0 0 "[ . 1]" 1
644 1 52 ALA HA 1 73 ARG H 5.370 . 5.370 3.871 3.343 4.207 . 0 0 "[ . 1]" 1
645 1 72 VAL HA 1 73 ARG H 2.730 . 2.730 2.163 2.093 2.243 . 0 0 "[ . 1]" 1
646 1 72 VAL HB 1 73 ARG H 4.250 . 4.250 4.187 4.040 4.262 0.012 7 0 "[ . 1]" 1
647 1 73 ARG H 1 73 ARG HG2 4.200 . 4.200 3.411 2.551 4.102 . 0 0 "[ . 1]" 1
648 1 73 ARG H 1 73 ARG HG3 4.200 . 4.200 3.029 2.234 4.044 . 0 0 "[ . 1]" 1
649 1 85 VAL H 1 86 ASP H 4.730 . 4.730 4.454 4.411 4.484 . 0 0 "[ . 1]" 1
650 1 65 LYS HA 1 86 ASP H 5.500 . 5.500 4.806 4.675 4.957 . 0 0 "[ . 1]" 1
651 1 86 ASP H 1 91 MET HA 5.500 . 5.500 4.667 4.544 4.785 . 0 0 "[ . 1]" 1
652 1 86 ASP H 1 92 ALA HA 3.790 . 3.790 3.162 3.118 3.223 . 0 0 "[ . 1]" 1
653 1 86 ASP H 1 87 CYS HA 4.730 . 4.730 4.688 4.624 4.734 0.004 3 0 "[ . 1]" 1
654 1 85 VAL HA 1 86 ASP H 2.530 . 2.530 2.152 2.134 2.176 . 0 0 "[ . 1]" 1
655 1 86 ASP H 1 90 GLY HA2 4.820 . 4.820 4.816 4.676 4.838 0.018 6 0 "[ . 1]" 1
656 1 86 ASP H 1 86 ASP HB2 3.090 . 3.090 2.402 2.335 2.493 . 0 0 "[ . 1]" 1
657 1 13 LYS HD2 1 86 ASP H 4.540 . 4.540 3.525 3.006 4.302 . 0 0 "[ . 1]" 1
658 1 85 VAL HB 1 86 ASP H 4.870 . 4.870 4.186 4.122 4.242 . 0 0 "[ . 1]" 1
659 1 86 ASP H 1 92 ALA MB 3.890 . 3.890 3.785 3.558 3.895 0.005 9 0 "[ . 1]" 1
660 1 85 VAL MG2 1 86 ASP H 4.060 . 4.060 4.035 3.976 4.068 0.008 4 0 "[ . 1]" 1
661 1 65 LYS HG3 1 86 ASP H 5.300 . 5.300 4.446 4.219 4.649 . 0 0 "[ . 1]" 1
662 1 60 GLN H 1 66 TRP HA 4.900 . 4.900 4.852 4.671 4.909 0.009 2 0 "[ . 1]" 1
663 1 59 ILE HA 1 60 GLN H 2.450 . 2.450 2.122 2.099 2.150 . 0 0 "[ . 1]" 1
664 1 60 GLN H 1 67 SER HB3 3.960 . 3.960 3.536 3.403 3.676 . 0 0 "[ . 1]" 1
665 1 60 GLN H 1 67 SER HB2 5.020 . 5.020 4.923 4.750 5.021 0.001 10 0 "[ . 1]" 1
666 1 60 GLN H 1 66 TRP HB3 4.400 . 4.400 4.039 3.908 4.147 . 0 0 "[ . 1]" 1
667 1 60 GLN H 1 60 GLN HG2 4.170 . 4.170 2.791 2.568 3.092 . 0 0 "[ . 1]" 1
668 1 60 GLN H 1 60 GLN HG3 4.170 . 4.170 4.030 3.925 4.175 0.005 10 0 "[ . 1]" 1
669 1 59 ILE MG 1 60 GLN H 2.890 . 2.890 2.890 2.878 2.897 0.007 8 0 "[ . 1]" 1
670 1 59 ILE MD 1 60 GLN H 3.940 . 3.940 3.465 3.418 3.505 . 0 0 "[ . 1]" 1
671 1 60 GLN H 1 67 SER H 3.310 . 3.310 3.065 2.969 3.152 . 0 0 "[ . 1]" 1
672 1 84 SER H 1 85 VAL H 4.390 . 4.390 4.304 4.241 4.392 0.002 7 0 "[ . 1]" 1
673 1 83 VAL HA 1 84 SER H 2.970 . 2.970 2.123 2.096 2.209 . 0 0 "[ . 1]" 1
674 1 83 VAL HB 1 84 SER H 4.220 . 4.220 4.037 3.919 4.167 . 0 0 "[ . 1]" 1
675 1 83 VAL MG2 1 84 SER H 4.140 . 4.140 4.003 3.898 4.102 . 0 0 "[ . 1]" 1
676 1 84 SER H 1 85 VAL MG2 4.470 . 4.470 4.431 4.244 4.485 0.015 1 0 "[ . 1]" 1
677 1 83 VAL MG1 1 84 SER H 3.320 . 3.320 2.527 2.324 2.679 . 0 0 "[ . 1]" 1
678 1 62 LYS H 1 63 ASP H 4.510 . 4.510 4.291 4.191 4.351 . 0 0 "[ . 1]" 1
679 1 63 ASP H 1 65 LYS H 4.810 . 4.810 4.581 4.526 4.604 . 0 0 "[ . 1]" 1
680 1 63 ASP H 1 63 ASP HA 2.430 . 2.430 2.256 2.246 2.272 . 0 0 "[ . 1]" 1
681 1 62 LYS HA 1 63 ASP H 2.410 . 2.410 2.134 2.014 2.249 . 0 0 "[ . 1]" 1
682 1 63 ASP H 1 63 ASP HB2 3.470 . 3.470 3.168 3.059 3.217 . 0 0 "[ . 1]" 1
683 1 63 ASP H 1 63 ASP HB3 3.860 . 3.860 3.718 3.621 3.803 . 0 0 "[ . 1]" 1
684 1 22 ILE H 1 23 ALA H 3.100 . 3.100 2.808 2.795 2.822 . 0 0 "[ . 1]" 1
685 1 20 ALA HA 1 23 ALA H 4.180 . 4.180 3.965 3.921 4.016 . 0 0 "[ . 1]" 1
686 1 19 ALA MB 1 23 ALA H 4.620 . 4.620 4.434 4.413 4.457 . 0 0 "[ . 1]" 1
687 1 23 ALA H 1 23 ALA MB 2.640 . 2.640 2.223 2.218 2.227 . 0 0 "[ . 1]" 1
688 1 23 ALA H 1 59 ILE HG13 3.420 . 3.420 3.169 3.092 3.263 . 0 0 "[ . 1]" 1
689 1 23 ALA H 1 59 ILE MD 3.610 . 3.610 3.395 3.249 3.508 . 0 0 "[ . 1]" 1
690 1 26 VAL H 1 27 LYS H 3.700 . 3.700 2.670 2.566 2.778 . 0 0 "[ . 1]" 1
691 1 23 ALA HA 1 26 VAL H 3.840 . 3.840 3.531 3.327 3.719 . 0 0 "[ . 1]" 1
692 1 26 VAL H 1 26 VAL HB 3.090 . 3.090 2.564 2.474 2.653 . 0 0 "[ . 1]" 1
693 1 22 ILE MG 1 26 VAL H 4.450 . 4.450 3.756 3.659 3.899 . 0 0 "[ . 1]" 1
694 1 50 PRO HB2 1 51 VAL H 3.940 . 3.940 3.544 2.862 3.942 0.002 2 0 "[ . 1]" 1
695 1 50 PRO HB3 1 51 VAL H 4.550 . 4.550 3.753 3.467 3.935 . 0 0 "[ . 1]" 1
696 1 51 VAL H 1 52 ALA H 4.710 . 4.710 4.391 4.285 4.523 . 0 0 "[ . 1]" 1
697 1 75 LYS H 1 77 ALA H 4.410 . 4.410 3.621 3.223 4.014 . 0 0 "[ . 1]" 1
698 1 74 GLY HA3 1 77 ALA H 3.850 . 3.850 3.437 3.198 3.791 . 0 0 "[ . 1]" 1
699 1 77 ALA H 1 77 ALA MB 3.510 . 3.510 2.397 2.280 2.555 . 0 0 "[ . 1]" 1
700 1 14 CYS H 1 15 GLU H 3.640 . 3.640 3.599 3.552 3.631 . 0 0 "[ . 1]" 1
701 1 15 GLU H 1 17 LEU H 4.550 . 4.550 3.462 3.403 3.547 . 0 0 "[ . 1]" 1
702 1 14 CYS HA 1 15 GLU H 3.130 . 3.130 2.283 2.237 2.319 . 0 0 "[ . 1]" 1
703 1 15 GLU H 1 87 CYS HB3 4.200 . 4.200 4.097 4.048 4.129 . 0 0 "[ . 1]" 1
704 1 15 GLU H 1 15 GLU HB3 3.660 . 3.660 3.596 3.582 3.615 . 0 0 "[ . 1]" 1
705 1 15 GLU H 1 15 GLU HB2 2.890 . 2.890 2.401 2.361 2.444 . 0 0 "[ . 1]" 1
706 1 15 GLU H 1 17 LEU MD1 4.460 . 4.460 4.006 3.859 4.137 . 0 0 "[ . 1]" 1
707 1 57 GLN H 1 59 ILE H 4.160 . 4.160 4.058 3.979 4.135 . 0 0 "[ . 1]" 1
708 1 55 SER H 1 59 ILE H 5.260 . 5.260 5.258 5.220 5.270 0.010 2 0 "[ . 1]" 1
709 1 59 ILE H 1 69 PRO HG3 4.440 . 4.440 3.795 3.407 4.243 . 0 0 "[ . 1]" 1
710 1 59 ILE H 1 59 ILE HG12 2.760 . 2.760 2.460 2.402 2.535 . 0 0 "[ . 1]" 1
711 1 59 ILE H 1 59 ILE HB 2.520 . 2.520 2.365 2.340 2.396 . 0 0 "[ . 1]" 1
712 1 59 ILE H 1 60 GLN H 4.500 . 4.500 4.454 4.434 4.489 . 0 0 "[ . 1]" 1
713 1 58 ASP H 1 59 ILE H 2.570 . 2.570 2.106 2.024 2.247 . 0 0 "[ . 1]" 1
714 1 58 ASP HA 1 59 ILE H 3.440 . 3.440 3.306 3.285 3.319 . 0 0 "[ . 1]" 1
715 1 56 LEU HA 1 59 ILE H 3.400 . 3.400 3.410 3.405 3.414 0.014 6 0 "[ . 1]" 1
716 1 58 ASP HB2 1 59 ILE H 4.110 . 4.110 4.003 3.543 4.124 0.014 1 0 "[ . 1]" 1
717 1 58 ASP HB3 1 59 ILE H 4.110 . 4.110 3.610 3.465 4.101 . 0 0 "[ . 1]" 1
718 1 19 ALA MB 1 59 ILE H 4.250 . 4.250 4.224 4.128 4.257 0.007 10 0 "[ . 1]" 1
719 1 66 TRP H 1 85 VAL MG1 4.410 . 4.410 3.623 3.445 3.745 . 0 0 "[ . 1]" 1
720 1 65 LYS H 1 66 TRP H 4.510 . 4.510 4.400 4.358 4.470 . 0 0 "[ . 1]" 1
721 1 65 LYS HA 1 66 TRP H 2.690 . 2.690 2.156 2.118 2.200 . 0 0 "[ . 1]" 1
722 1 66 TRP H 1 66 TRP HB3 3.930 . 3.930 3.810 3.750 3.857 . 0 0 "[ . 1]" 1
723 1 66 TRP H 1 66 TRP HB2 3.530 . 3.530 2.706 2.605 2.775 . 0 0 "[ . 1]" 1
724 1 65 LYS HB3 1 66 TRP H 3.420 . 3.420 3.240 2.881 3.421 0.001 8 0 "[ . 1]" 1
725 1 66 TRP H 1 85 VAL HB 3.710 . 3.710 2.571 2.374 2.699 . 0 0 "[ . 1]" 1
726 1 65 LYS HG3 1 66 TRP H 4.450 . 4.450 3.566 3.313 3.900 . 0 0 "[ . 1]" 1
727 1 66 TRP H 1 86 ASP HA 4.170 . 4.170 3.973 3.844 4.050 . 0 0 "[ . 1]" 1
728 1 19 ALA H 1 59 ILE MG 4.310 . 4.310 4.282 4.158 4.316 0.006 5 0 "[ . 1]" 1
729 1 19 ALA H 1 20 ALA H 2.880 . 2.880 2.659 2.621 2.760 . 0 0 "[ . 1]" 1
730 1 18 ASP H 1 19 ALA H 4.620 . 4.620 4.366 4.320 4.479 . 0 0 "[ . 1]" 1
731 1 19 ALA H 1 66 TRP HZ2 4.680 . 4.680 4.288 3.859 4.564 . 0 0 "[ . 1]" 1
732 1 19 ALA H 1 66 TRP HH2 3.590 . 3.590 3.277 3.016 3.425 . 0 0 "[ . 1]" 1
733 1 19 ALA H 1 66 TRP HZ3 4.690 . 4.690 4.530 4.213 4.676 . 0 0 "[ . 1]" 1
734 1 18 ASP HA 1 19 ALA H 2.640 . 2.640 2.630 2.598 2.650 0.010 1 0 "[ . 1]" 1
735 1 19 ALA H 1 19 ALA MB 2.400 . 2.400 2.231 2.218 2.238 . 0 0 "[ . 1]" 1
736 1 4 GLU H 1 5 THR MG 4.380 . 4.380 3.952 3.174 4.390 0.010 8 0 "[ . 1]" 1
737 1 19 ALA H 1 22 ILE MG 5.500 . 5.500 5.484 5.436 5.507 0.007 10 0 "[ . 1]" 1
738 1 4 GLU H 1 5 THR H 4.420 . 4.420 3.556 2.155 4.315 . 0 0 "[ . 1]" 1
739 1 4 GLU H 1 4 GLU HB2 3.810 . 3.810 2.994 2.435 3.733 . 0 0 "[ . 1]" 1
740 1 4 GLU H 1 4 GLU HB3 3.810 . 3.810 3.079 2.499 3.679 . 0 0 "[ . 1]" 1
741 1 87 CYS H 1 88 LYS HB2 4.990 . 4.990 4.770 4.621 4.923 . 0 0 "[ . 1]" 1
742 1 86 ASP H 1 87 CYS H 4.230 . 4.230 4.197 4.125 4.235 0.005 5 0 "[ . 1]" 1
743 1 87 CYS H 1 88 LYS H 2.820 . 2.820 2.634 2.583 2.752 . 0 0 "[ . 1]" 1
744 1 66 TRP HD1 1 87 CYS H 4.340 . 4.340 3.949 3.774 4.061 . 0 0 "[ . 1]" 1
745 1 65 LYS HA 1 87 CYS H 3.510 . 3.510 3.186 3.046 3.332 . 0 0 "[ . 1]" 1
746 1 86 ASP HA 1 87 CYS H 2.450 . 2.450 2.171 2.136 2.202 . 0 0 "[ . 1]" 1
747 1 64 ASP HA 1 87 CYS H 5.010 . 5.010 4.189 3.932 4.557 . 0 0 "[ . 1]" 1
748 1 87 CYS H 1 87 CYS HB2 2.810 . 2.810 2.493 2.437 2.573 . 0 0 "[ . 1]" 1
749 1 64 ASP HB2 1 87 CYS H 4.160 . 4.160 3.310 3.051 3.599 . 0 0 "[ . 1]" 1
750 1 87 CYS H 1 87 CYS HB3 3.680 . 3.680 3.635 3.620 3.656 . 0 0 "[ . 1]" 1
751 1 86 ASP HB2 1 87 CYS H 4.670 . 4.670 4.516 4.388 4.604 . 0 0 "[ . 1]" 1
752 1 65 LYS HG3 1 87 CYS H 3.920 . 3.920 3.930 3.925 3.939 0.019 3 0 "[ . 1]" 1
753 1 85 VAL MG1 1 87 CYS H 3.770 . 3.770 3.530 3.322 3.631 . 0 0 "[ . 1]" 1
754 1 83 VAL HA 1 93 GLU H 5.060 . 5.060 4.541 4.289 4.648 . 0 0 "[ . 1]" 1
755 1 85 VAL HA 1 93 GLU H 4.450 . 4.450 3.843 3.732 4.000 . 0 0 "[ . 1]" 1
756 1 92 ALA MB 1 93 GLU H 3.720 . 3.720 3.214 3.052 3.265 . 0 0 "[ . 1]" 1
757 1 92 ALA H 1 93 GLU H 4.400 . 4.400 3.988 3.928 4.096 . 0 0 "[ . 1]" 1
758 1 13 LYS H 1 15 GLU H 5.340 . 5.340 5.247 5.076 5.346 0.006 8 0 "[ . 1]" 1
759 1 13 LYS H 1 87 CYS H 5.500 . 5.500 5.218 5.010 5.342 . 0 0 "[ . 1]" 1
760 1 12 PRO HA 1 13 LYS H 2.400 . 2.400 2.135 2.094 2.163 . 0 0 "[ . 1]" 1
761 1 13 LYS H 1 90 GLY HA2 4.040 . 4.040 2.881 2.528 3.190 . 0 0 "[ . 1]" 1
762 1 13 LYS H 1 13 LYS HB2 2.970 . 2.970 2.701 2.635 2.803 . 0 0 "[ . 1]" 1
763 1 13 LYS H 1 13 LYS QG 2.760 . 2.760 2.205 2.093 2.297 . 0 0 "[ . 1]" 1
764 1 29 ASP HB3 1 30 TYR H 3.380 . 3.380 2.397 2.150 2.711 . 0 0 "[ . 1]" 1
765 1 30 TYR H 1 31 GLN H 3.820 . 3.820 2.584 2.528 2.662 . 0 0 "[ . 1]" 1
766 1 30 TYR H 1 30 TYR HE1 5.500 . 5.500 5.500 5.467 5.514 0.014 10 0 "[ . 1]" 1
767 1 29 ASP H 1 30 TYR H 3.530 . 3.530 2.894 2.840 2.943 . 0 0 "[ . 1]" 1
768 1 28 ARG H 1 29 ASP H 3.200 . 3.200 2.721 2.671 2.794 . 0 0 "[ . 1]" 1
769 1 26 VAL HA 1 29 ASP H 3.800 . 3.800 3.124 2.870 3.406 . 0 0 "[ . 1]" 1
770 1 29 ASP H 1 29 ASP HB3 3.470 . 3.470 3.117 2.797 3.392 . 0 0 "[ . 1]" 1
771 1 29 ASP H 1 29 ASP HB2 3.160 . 3.160 2.105 2.034 2.249 . 0 0 "[ . 1]" 1
772 1 29 ASP H 1 30 TYR HD2 4.710 . 4.710 4.495 4.091 4.714 0.004 4 0 "[ . 1]" 1
773 1 87 CYS H 1 89 ALA H 3.760 . 3.760 3.741 3.688 3.765 0.005 5 0 "[ . 1]" 1
774 1 88 LYS H 1 89 ALA H 2.660 . 2.660 2.474 2.408 2.535 . 0 0 "[ . 1]" 1
775 1 87 CYS HA 1 89 ALA H 4.480 . 4.480 4.321 4.209 4.400 . 0 0 "[ . 1]" 1
776 1 88 LYS HA 1 89 ALA H 3.490 . 3.490 3.451 3.414 3.493 0.003 5 0 "[ . 1]" 1
777 1 89 ALA H 1 90 GLY HA2 4.610 . 4.610 4.397 4.371 4.425 . 0 0 "[ . 1]" 1
778 1 86 ASP HB3 1 89 ALA H 3.570 . 3.570 2.818 2.642 2.894 . 0 0 "[ . 1]" 1
779 1 88 LYS HB2 1 89 ALA H 3.300 . 3.300 3.031 2.938 3.128 . 0 0 "[ . 1]" 1
780 1 89 ALA H 1 89 ALA MB 2.450 . 2.450 2.309 2.286 2.332 . 0 0 "[ . 1]" 1
781 1 89 ALA H 1 90 GLY HA3 4.780 . 4.780 4.790 4.784 4.796 0.016 6 0 "[ . 1]" 1
782 1 86 ASP HB2 1 89 ALA H 4.740 . 4.740 4.386 4.025 4.614 . 0 0 "[ . 1]" 1
783 1 88 LYS HG2 1 89 ALA H 4.620 . 4.620 4.513 4.371 4.621 0.001 7 0 "[ . 1]" 1
784 1 61 GLY H 1 62 LYS H 4.410 . 4.410 4.347 4.297 4.410 . 0 0 "[ . 1]" 1
785 1 62 LYS H 1 65 LYS H 3.360 . 3.360 3.287 3.153 3.366 0.006 7 0 "[ . 1]" 1
786 1 61 GLY HA2 1 62 LYS H 3.110 . 3.110 2.449 2.301 2.577 . 0 0 "[ . 1]" 1
787 1 62 LYS H 1 62 LYS HB2 3.830 . 3.830 3.371 3.319 3.456 . 0 0 "[ . 1]" 1
788 1 62 LYS H 1 62 LYS HB3 3.830 . 3.830 2.800 2.720 2.882 . 0 0 "[ . 1]" 1
789 1 61 GLY HA3 1 62 LYS H 3.110 . 3.110 2.682 2.551 2.770 . 0 0 "[ . 1]" 1
790 1 62 LYS H 1 62 LYS HG2 5.490 . 5.490 4.452 4.314 4.602 . 0 0 "[ . 1]" 1
791 1 62 LYS H 1 62 LYS HG3 5.490 . 5.490 4.707 4.665 4.762 . 0 0 "[ . 1]" 1
792 1 74 GLY H 1 75 LYS H 4.370 . 4.370 4.043 3.529 4.352 . 0 0 "[ . 1]" 1
793 1 74 GLY HA3 1 75 LYS H 3.430 . 3.430 2.982 2.622 3.285 . 0 0 "[ . 1]" 1
794 1 8 SER HA 1 9 VAL H 2.940 . 2.940 2.148 2.120 2.181 . 0 0 "[ . 1]" 1
795 1 8 SER HB2 1 9 VAL H 5.130 . 5.130 4.122 3.436 4.477 . 0 0 "[ . 1]" 1
796 1 8 SER HB3 1 9 VAL H 5.130 . 5.130 4.031 3.472 4.388 . 0 0 "[ . 1]" 1
797 1 9 VAL H 1 9 VAL MG2 4.050 . 4.050 3.793 2.219 4.021 . 0 0 "[ . 1]" 1
798 1 9 VAL H 1 9 VAL MG1 4.050 . 4.050 2.487 2.088 3.414 . 0 0 "[ . 1]" 1
799 1 88 LYS H 1 90 GLY H 4.180 . 4.180 3.737 3.655 3.824 . 0 0 "[ . 1]" 1
800 1 64 ASP HA 1 88 LYS H 4.840 . 4.840 4.574 4.206 4.846 0.006 3 0 "[ . 1]" 1
801 1 87 CYS HB2 1 88 LYS H 3.620 . 3.620 2.409 2.244 2.500 . 0 0 "[ . 1]" 1
802 1 64 ASP HB2 1 88 LYS H 3.410 . 3.410 2.465 2.051 2.658 . 0 0 "[ . 1]" 1
803 1 64 ASP HB3 1 88 LYS H 4.070 . 4.070 3.798 3.550 3.997 . 0 0 "[ . 1]" 1
804 1 88 LYS H 1 88 LYS HB2 2.630 . 2.630 2.389 2.281 2.513 . 0 0 "[ . 1]" 1
805 1 88 LYS H 1 88 LYS HG2 3.200 . 3.200 2.443 2.218 2.618 . 0 0 "[ . 1]" 1
806 1 88 LYS H 1 88 LYS HG3 3.740 . 3.740 3.654 3.532 3.738 . 0 0 "[ . 1]" 1
807 1 18 ASP H 1 22 ILE H 4.160 . 4.160 4.034 3.897 4.161 0.001 5 0 "[ . 1]" 1
808 1 18 ASP H 1 20 ALA H 4.380 . 4.380 4.326 4.205 4.391 0.011 2 0 "[ . 1]" 1
809 1 17 LEU HA 1 18 ASP H 2.500 . 2.500 2.230 2.206 2.279 . 0 0 "[ . 1]" 1
810 1 18 ASP H 1 21 GLY HA3 3.780 . 3.780 3.566 3.370 3.735 . 0 0 "[ . 1]" 1
811 1 18 ASP H 1 18 ASP HB2 3.820 . 3.820 2.590 2.455 2.684 . 0 0 "[ . 1]" 1
812 1 18 ASP H 1 18 ASP HB3 3.820 . 3.820 3.036 2.940 3.655 . 0 0 "[ . 1]" 1
813 1 17 LEU HB3 1 18 ASP H 3.430 . 3.430 2.804 2.725 2.858 . 0 0 "[ . 1]" 1
814 1 17 LEU MD2 1 18 ASP H 3.040 . 3.040 2.741 2.690 2.777 . 0 0 "[ . 1]" 1
815 1 17 LEU H 1 18 ASP H 4.750 . 4.750 4.604 4.583 4.627 . 0 0 "[ . 1]" 1
816 1 91 MET H 1 92 ALA MB 4.800 . 4.800 4.698 4.566 4.797 . 0 0 "[ . 1]" 1
817 1 86 ASP H 1 91 MET H 3.420 . 3.420 2.938 2.827 3.017 . 0 0 "[ . 1]" 1
818 1 90 GLY H 1 91 MET H 3.170 . 3.170 2.648 2.569 2.734 . 0 0 "[ . 1]" 1
819 1 90 GLY HA2 1 91 MET H 3.060 . 3.060 2.605 2.516 2.650 . 0 0 "[ . 1]" 1
820 1 86 ASP HB3 1 91 MET H 3.370 . 3.370 2.522 2.006 3.022 . 0 0 "[ . 1]" 1
821 1 86 ASP HB2 1 91 MET H 3.250 . 3.250 2.309 1.782 2.890 . 0 0 "[ . 1]" 1
822 1 91 MET H 1 91 MET HG3 3.640 . 3.640 3.037 2.920 3.205 . 0 0 "[ . 1]" 1
823 1 91 MET H 1 91 MET HB2 3.080 . 3.080 2.739 2.673 2.818 . 0 0 "[ . 1]" 1
824 1 89 ALA MB 1 91 MET H 3.680 . 3.680 3.276 3.226 3.331 . 0 0 "[ . 1]" 1
825 1 85 VAL MG1 1 91 MET H 4.620 . 4.620 4.393 4.189 4.568 . 0 0 "[ . 1]" 1
826 1 66 TRP H 1 67 SER H 4.460 . 4.460 4.447 4.430 4.465 0.005 3 0 "[ . 1]" 1
827 1 66 TRP HE3 1 67 SER H 3.870 . 3.870 3.446 3.362 3.575 . 0 0 "[ . 1]" 1
828 1 66 TRP HA 1 67 SER H 2.540 . 2.540 2.373 2.299 2.417 . 0 0 "[ . 1]" 1
829 1 60 GLN HA 1 67 SER H 4.830 . 4.830 4.637 4.532 4.794 . 0 0 "[ . 1]" 1
830 1 67 SER H 1 67 SER HB3 3.010 . 3.010 2.748 2.661 2.844 . 0 0 "[ . 1]" 1
831 1 66 TRP HB3 1 67 SER H 3.210 . 3.210 2.406 2.307 2.548 . 0 0 "[ . 1]" 1
832 1 66 TRP HB2 1 67 SER H 3.740 . 3.740 3.545 3.464 3.661 . 0 0 "[ . 1]" 1
833 1 27 LYS H 1 27 LYS HG3 4.610 . 4.610 2.074 1.860 2.669 . 0 0 "[ . 1]" 1
834 1 27 LYS H 1 27 LYS HD2 4.300 . 4.300 3.923 3.099 4.155 . 0 0 "[ . 1]" 1
835 1 91 MET H 1 91 MET HB3 4.130 . 4.130 3.832 3.793 3.884 . 0 0 "[ . 1]" 1
836 1 22 ILE H 1 24 ALA H 4.470 . 4.470 4.275 4.105 4.455 . 0 0 "[ . 1]" 1
837 1 23 ALA H 1 24 ALA H 3.170 . 3.170 2.814 2.742 2.894 . 0 0 "[ . 1]" 1
838 1 24 ALA H 1 27 LYS H 5.050 . 5.050 4.640 4.477 4.748 . 0 0 "[ . 1]" 1
839 1 21 GLY HA2 1 24 ALA H 3.630 . 3.630 3.501 3.406 3.580 . 0 0 "[ . 1]" 1
840 1 24 ALA H 1 24 ALA MB 2.560 . 2.560 2.243 2.231 2.263 . 0 0 "[ . 1]" 1
841 1 23 ALA MB 1 24 ALA H 2.830 . 2.830 2.461 2.310 2.644 . 0 0 "[ . 1]" 1
842 1 24 ALA H 1 27 LYS HD2 5.500 . 5.500 4.114 3.568 4.280 . 0 0 "[ . 1]" 1
843 1 24 ALA H 1 27 LYS HD3 5.500 . 5.500 4.313 3.892 4.873 . 0 0 "[ . 1]" 1
844 1 20 ALA H 1 21 GLY H 2.790 . 2.790 2.652 2.599 2.702 . 0 0 "[ . 1]" 1
845 1 20 ALA H 1 20 ALA HA 2.830 . 2.830 2.832 2.819 2.839 0.009 7 0 "[ . 1]" 1
846 1 20 ALA H 1 20 ALA MB 2.400 . 2.400 2.238 2.225 2.247 . 0 0 "[ . 1]" 1
847 1 18 ASP HA 1 20 ALA H 4.370 . 4.370 4.388 4.348 4.400 0.030 7 0 "[ . 1]" 1
848 1 26 VAL H 1 28 ARG H 4.750 . 4.750 4.093 3.792 4.240 . 0 0 "[ . 1]" 1
849 1 28 ARG H 1 30 TYR H 5.280 . 5.280 4.629 4.466 4.753 . 0 0 "[ . 1]" 1
850 1 58 ASP H 1 59 ILE HA 4.820 . 4.820 4.576 4.508 4.733 . 0 0 "[ . 1]" 1
851 1 57 GLN H 1 58 ASP H 3.010 . 3.010 2.641 2.554 2.711 . 0 0 "[ . 1]" 1
852 1 55 SER HB2 1 58 ASP H 4.240 . 4.240 3.568 2.940 4.242 0.002 4 0 "[ . 1]" 1
853 1 57 GLN HB2 1 58 ASP H 3.300 . 3.300 3.240 3.077 3.308 0.008 10 0 "[ . 1]" 1
854 1 58 ASP H 1 59 ILE HB 4.480 . 4.480 4.288 4.175 4.435 . 0 0 "[ . 1]" 1
855 1 56 LEU H 1 58 ASP H 4.020 . 4.020 3.890 3.802 4.005 . 0 0 "[ . 1]" 1
856 1 55 SER HB3 1 58 ASP H 3.750 . 3.750 2.742 2.180 3.031 . 0 0 "[ . 1]" 1
857 1 13 LYS QG 1 14 CYS H 4.240 . 4.240 3.622 3.527 3.748 . 0 0 "[ . 1]" 1
858 1 14 CYS H 1 87 CYS HA 3.260 . 3.260 2.464 2.260 2.565 . 0 0 "[ . 1]" 1
859 1 14 CYS H 1 14 CYS HB2 3.960 . 3.960 3.588 3.559 3.620 . 0 0 "[ . 1]" 1
860 1 14 CYS H 1 14 CYS HB3 3.730 . 3.730 3.735 3.732 3.739 0.009 4 0 "[ . 1]" 1
861 1 14 CYS H 1 87 CYS HB3 3.330 . 3.330 1.905 1.783 2.038 . 0 0 "[ . 1]" 1
862 1 13 LYS HB2 1 14 CYS H 3.360 . 3.360 2.531 2.477 2.626 . 0 0 "[ . 1]" 1
863 1 13 LYS HB3 1 14 CYS H 4.090 . 4.090 3.823 3.781 3.896 . 0 0 "[ . 1]" 1
864 1 14 CYS H 1 88 LYS H 4.960 . 4.960 4.706 4.618 4.777 . 0 0 "[ . 1]" 1
865 1 14 CYS H 1 87 CYS HB2 3.730 . 3.730 3.577 3.491 3.674 . 0 0 "[ . 1]" 1
866 1 78 ASP H 1 79 ILE H 4.550 . 4.550 4.327 4.168 4.508 . 0 0 "[ . 1]" 1
867 1 78 ASP H 1 79 ILE HA 4.950 . 4.950 4.741 4.625 4.958 0.008 6 0 "[ . 1]" 1
868 1 77 ALA HA 1 78 ASP H 2.680 . 2.680 2.163 2.083 2.414 . 0 0 "[ . 1]" 1
869 1 77 ALA MB 1 78 ASP H 3.130 . 3.130 2.928 2.137 3.131 0.001 9 0 "[ . 1]" 1
870 1 77 ALA H 1 78 ASP H 4.580 . 4.580 4.405 4.253 4.494 . 0 0 "[ . 1]" 1
871 1 14 CYS HA 1 16 ASP H 4.350 . 4.350 4.020 3.887 4.184 . 0 0 "[ . 1]" 1
872 1 16 ASP H 1 17 LEU H 2.940 . 2.940 2.181 2.127 2.247 . 0 0 "[ . 1]" 1
873 1 15 GLU HG2 1 16 ASP H 5.400 . 5.400 4.818 4.749 4.895 . 0 0 "[ . 1]" 1
874 1 15 GLU HG3 1 16 ASP H 5.400 . 5.400 4.284 4.135 4.414 . 0 0 "[ . 1]" 1
875 1 15 GLU HB2 1 16 ASP H 3.480 . 3.480 2.405 2.288 2.511 . 0 0 "[ . 1]" 1
876 1 16 ASP H 1 17 LEU HG 4.760 . 4.760 3.841 3.709 3.967 . 0 0 "[ . 1]" 1
877 1 16 ASP H 1 17 LEU MD1 5.150 . 5.150 4.615 4.435 4.750 . 0 0 "[ . 1]" 1
878 1 56 LEU H 1 57 GLN H 3.390 . 3.390 2.762 2.616 2.839 . 0 0 "[ . 1]" 1
879 1 55 SER HA 1 57 GLN H 4.480 . 4.480 4.000 3.853 4.096 . 0 0 "[ . 1]" 1
880 1 57 GLN H 1 57 GLN HG2 4.370 . 4.370 3.602 2.073 3.879 . 0 0 "[ . 1]" 1
881 1 57 GLN H 1 57 GLN HG3 4.370 . 4.370 3.095 2.174 3.592 . 0 0 "[ . 1]" 1
882 1 57 GLN H 1 57 GLN HB2 2.740 . 2.740 2.519 2.436 2.675 . 0 0 "[ . 1]" 1
883 1 56 LEU HB3 1 57 GLN H 3.300 . 3.300 2.447 2.380 2.530 . 0 0 "[ . 1]" 1
884 1 56 LEU MD2 1 57 GLN H 4.850 . 4.850 4.652 4.623 4.689 . 0 0 "[ . 1]" 1
885 1 25 SER H 1 26 VAL HB 5.230 . 5.230 4.835 4.682 4.981 . 0 0 "[ . 1]" 1
886 1 25 SER H 1 27 LYS HD2 5.500 . 5.500 5.433 4.693 5.521 0.021 10 0 "[ . 1]" 1
887 1 25 SER H 1 26 VAL H 3.050 . 3.050 2.556 2.492 2.614 . 0 0 "[ . 1]" 1
888 1 24 ALA H 1 25 SER H 2.890 . 2.890 2.556 2.433 2.676 . 0 0 "[ . 1]" 1
889 1 25 SER H 1 25 SER HA 2.940 . 2.940 2.848 2.829 2.863 . 0 0 "[ . 1]" 1
890 1 22 ILE HA 1 25 SER H 3.500 . 3.500 3.421 3.327 3.503 0.003 8 0 "[ . 1]" 1
891 1 24 ALA MB 1 25 SER H 2.900 . 2.900 2.588 2.531 2.639 . 0 0 "[ . 1]" 1
892 1 30 TYR H 1 32 GLN H 4.310 . 4.310 4.085 3.949 4.296 . 0 0 "[ . 1]" 1
893 1 60 GLN HE21 1 61 GLY H 3.650 . 3.650 3.164 2.746 3.657 0.007 10 0 "[ . 1]" 1
894 1 60 GLN HA 1 60 GLN HE21 4.290 . 4.290 1.376 1.240 1.681 . 0 0 "[ . 1]" 1
895 1 60 GLN HB2 1 60 GLN HE21 3.790 . 3.790 3.565 3.504 3.804 0.014 10 0 "[ . 1]" 1
896 1 75 LYS H 1 76 SER H 4.310 . 4.310 2.350 2.187 2.558 . 0 0 "[ . 1]" 1
897 1 76 SER H 1 77 ALA H 3.590 . 3.590 2.469 2.251 2.732 . 0 0 "[ . 1]" 1
898 1 75 LYS HB2 1 76 SER H 4.230 . 4.230 3.397 2.349 3.949 . 0 0 "[ . 1]" 1
899 1 75 LYS HB3 1 76 SER H 4.230 . 4.230 3.302 2.676 3.981 . 0 0 "[ . 1]" 1
900 1 61 GLY H 1 66 TRP HZ3 4.230 . 4.230 4.007 3.435 4.235 0.005 2 0 "[ . 1]" 1
901 1 59 ILE MG 1 61 GLY H 4.730 . 4.730 4.631 4.407 4.728 . 0 0 "[ . 1]" 1
902 1 61 GLY H 1 67 SER H 5.080 . 5.080 4.605 4.420 4.910 . 0 0 "[ . 1]" 1
903 1 61 GLY H 1 66 TRP HE3 4.140 . 4.140 3.725 3.485 3.837 . 0 0 "[ . 1]" 1
904 1 60 GLN HA 1 61 GLY H 2.400 . 2.400 2.348 2.263 2.400 . 4 0 "[ . 1]" 1
905 1 61 GLY H 1 62 LYS HA 4.870 . 4.870 4.808 4.690 4.865 . 0 0 "[ . 1]" 1
906 1 62 LYS H 1 64 ASP H 4.470 . 4.470 4.339 4.231 4.460 . 0 0 "[ . 1]" 1
907 1 63 ASP HB3 1 64 ASP H 3.060 . 3.060 1.890 1.754 1.997 . 0 0 "[ . 1]" 1
908 1 62 LYS HG2 1 64 ASP H 5.500 . 5.500 4.678 4.380 4.917 . 0 0 "[ . 1]" 1
909 1 21 GLY H 1 22 ILE H 2.810 . 2.810 2.517 2.495 2.545 . 0 0 "[ . 1]" 1
910 1 18 ASP H 1 21 GLY H 3.350 . 3.350 3.148 3.047 3.242 . 0 0 "[ . 1]" 1
911 1 17 LEU HA 1 21 GLY H 5.070 . 5.070 4.880 4.742 5.024 . 0 0 "[ . 1]" 1
912 1 21 GLY H 1 21 GLY HA3 2.610 . 2.610 2.299 2.293 2.306 . 0 0 "[ . 1]" 1
913 1 18 ASP HB2 1 21 GLY H 5.120 . 5.120 4.399 3.086 4.759 . 0 0 "[ . 1]" 1
914 1 19 ALA HA 1 21 GLY H 5.240 . 5.240 4.558 4.446 4.625 . 0 0 "[ . 1]" 1
915 1 20 ALA MB 1 21 GLY H 2.680 . 2.680 2.362 2.343 2.379 . 0 0 "[ . 1]" 1
916 1 17 LEU MD2 1 21 GLY H 3.510 . 3.510 3.223 3.046 3.389 . 0 0 "[ . 1]" 1
917 1 21 GLY H 1 22 ILE HB 4.620 . 4.620 4.404 4.377 4.431 . 0 0 "[ . 1]" 1
918 1 45 VAL MG1 1 46 GLY H 4.130 . 4.130 3.086 2.318 4.049 . 0 0 "[ . 1]" 1
919 1 87 CYS H 1 90 GLY H 4.200 . 4.200 4.180 4.134 4.208 0.008 2 0 "[ . 1]" 1
920 1 87 CYS HA 1 90 GLY H 3.490 . 3.490 3.498 3.491 3.501 0.011 3 0 "[ . 1]" 1
921 1 88 LYS HB2 1 90 GLY H 5.240 . 5.240 4.965 4.841 5.083 . 0 0 "[ . 1]" 1
922 1 13 LYS HD2 1 90 GLY H 4.930 . 4.930 4.650 4.166 4.941 0.011 1 0 "[ . 1]" 1
923 1 13 LYS QG 1 90 GLY H 3.830 . 3.830 3.115 2.860 3.259 . 0 0 "[ . 1]" 1
924 1 86 ASP H 1 90 GLY H 4.950 . 4.950 4.795 4.727 4.880 . 0 0 "[ . 1]" 1
925 1 13 LYS H 1 90 GLY H 4.160 . 4.160 3.663 3.465 3.808 . 0 0 "[ . 1]" 1
926 1 89 ALA H 1 90 GLY H 2.500 . 2.500 2.143 2.113 2.182 . 0 0 "[ . 1]" 1
927 1 90 GLY H 1 91 MET HA 5.500 . 5.500 5.196 5.144 5.278 . 0 0 "[ . 1]" 1
928 1 90 GLY H 1 90 GLY HA3 2.840 . 2.840 2.830 2.801 2.843 0.003 3 0 "[ . 1]" 1
929 1 90 GLY H 1 90 GLY HA2 2.720 . 2.720 2.277 2.257 2.287 . 0 0 "[ . 1]" 1
930 1 86 ASP HB3 1 90 GLY H 3.850 . 3.850 2.853 2.523 3.189 . 0 0 "[ . 1]" 1
931 1 86 ASP HB2 1 90 GLY H 4.250 . 4.250 3.937 3.325 4.252 0.002 3 0 "[ . 1]" 1
932 1 89 ALA MB 1 90 GLY H 3.140 . 3.140 2.841 2.764 2.935 . 0 0 "[ . 1]" 1
933 1 91 MET HG2 1 92 ALA H 4.520 . 4.520 4.114 3.991 4.194 . 0 0 "[ . 1]" 1
934 1 86 ASP HB2 1 92 ALA H 5.090 . 5.090 4.563 4.392 4.798 . 0 0 "[ . 1]" 1
935 1 64 ASP H 1 65 LYS H 2.670 . 2.670 1.713 1.568 1.885 . 0 0 "[ . 1]" 1
936 1 64 ASP HA 1 65 LYS H 3.200 . 3.200 3.172 3.093 3.211 0.011 5 0 "[ . 1]" 1
937 1 64 ASP HB2 1 65 LYS H 4.420 . 4.420 4.443 4.431 4.457 0.037 6 0 "[ . 1]" 1
938 1 63 ASP HB3 1 65 LYS H 3.750 . 3.750 3.285 2.887 3.624 . 0 0 "[ . 1]" 1
939 1 14 CYS HA 1 17 LEU H 4.050 . 4.050 3.622 3.485 3.738 . 0 0 "[ . 1]" 1
940 1 17 LEU H 1 17 LEU HA 2.920 . 2.920 2.822 2.806 2.844 . 0 0 "[ . 1]" 1
941 1 15 GLU HB2 1 17 LEU H 4.520 . 4.520 4.388 4.248 4.486 . 0 0 "[ . 1]" 1
942 1 65 LYS H 1 65 LYS HB2 2.730 . 2.730 2.432 2.369 2.487 . 0 0 "[ . 1]" 1
943 1 17 LEU H 1 17 LEU HB2 2.930 . 2.930 2.173 2.148 2.196 . 0 0 "[ . 1]" 1
944 1 65 LYS H 1 65 LYS HG3 4.250 . 4.250 4.251 4.171 4.287 0.037 8 0 "[ . 1]" 1
945 1 17 LEU H 1 17 LEU MD1 3.760 . 3.760 3.668 3.622 3.712 . 0 0 "[ . 1]" 1
946 1 9 VAL HB 1 10 THR H 4.340 . 4.340 3.959 2.960 4.090 . 0 0 "[ . 1]" 1
947 1 51 VAL MG1 1 52 ALA H 5.200 . 5.200 2.817 2.332 3.137 . 0 0 "[ . 1]" 1
948 1 51 VAL MG2 1 52 ALA H 5.200 . 5.200 4.109 3.975 4.205 . 0 0 "[ . 1]" 1
949 1 10 THR HA 1 11 PHE H 3.550 . 3.550 2.131 2.090 2.176 . 0 0 "[ . 1]" 1
950 1 53 TRP H 1 53 TRP HE3 5.390 . 5.390 5.318 5.153 5.401 0.011 6 0 "[ . 1]" 1
951 1 52 ALA MB 1 53 TRP H 4.450 . 4.450 3.074 2.860 3.212 . 0 0 "[ . 1]" 1
952 1 72 VAL HB 1 79 ILE H 5.330 . 5.330 4.603 3.059 5.173 . 0 0 "[ . 1]" 1
953 1 78 ASP HB2 1 79 ILE H 4.560 . 4.560 3.560 2.654 4.211 . 0 0 "[ . 1]" 1
954 1 78 ASP HB3 1 79 ILE H 4.560 . 4.560 3.972 3.170 4.285 . 0 0 "[ . 1]" 1
955 1 56 LEU H 1 57 GLN HE21 4.220 . 4.220 4.184 3.964 4.232 0.012 5 0 "[ . 1]" 1
956 1 3 ASN QB 1 4 GLU H 4.170 . 4.170 3.589 2.225 4.022 . 0 0 "[ . 1]" 1
957 1 4 GLU H 1 4 GLU QG 4.310 . 4.310 3.540 2.414 4.290 . 0 0 "[ . 1]" 1
958 1 4 GLU QB 1 5 THR H 4.330 . 4.330 3.704 3.281 4.017 . 0 0 "[ . 1]" 1
959 1 4 GLU QB 1 5 THR MG 4.950 . 4.950 4.669 3.540 4.970 0.020 2 0 "[ . 1]" 1
960 1 4 GLU QG 1 5 THR H 4.840 . 4.840 3.717 2.320 4.364 . 0 0 "[ . 1]" 1
961 1 8 SER HA 1 9 VAL QG 4.830 . 4.830 3.748 3.516 3.846 . 0 0 "[ . 1]" 1
962 1 8 SER QB 1 9 VAL H 4.380 . 4.380 3.569 3.279 3.948 . 0 0 "[ . 1]" 1
963 1 8 SER QB 1 9 VAL HA 4.980 . 4.980 4.240 4.082 4.657 . 0 0 "[ . 1]" 1
964 1 8 SER QB 1 9 VAL QG 4.850 . 4.850 4.552 4.017 4.703 . 0 0 "[ . 1]" 1
965 1 9 VAL H 1 9 VAL QG 2.920 . 2.920 2.348 2.079 2.528 . 0 0 "[ . 1]" 1
966 1 9 VAL QG 1 10 THR H 3.930 . 3.930 2.389 2.248 3.235 . 0 0 "[ . 1]" 1
967 1 9 VAL QG 1 10 THR HA 4.480 . 4.480 3.363 3.190 3.960 . 0 0 "[ . 1]" 1
968 1 9 VAL QG 1 11 PHE QB 3.850 . 3.850 3.361 2.964 3.868 0.018 10 0 "[ . 1]" 1
969 1 9 VAL QG 1 11 PHE QD 4.000 . 4.000 2.301 1.982 2.911 . 0 0 "[ . 1]" 1
970 1 11 PHE H 1 12 PRO QD 4.780 . 4.780 4.094 3.887 4.245 . 0 0 "[ . 1]" 1
971 1 11 PHE QD 1 13 LYS QE 4.240 . 4.240 3.816 3.035 4.166 . 0 0 "[ . 1]" 1
972 1 11 PHE QD 1 12 PRO QD 5.340 . 5.340 4.140 3.802 4.439 . 0 0 "[ . 1]" 1
973 1 13 LYS H 1 13 LYS QE 4.560 . 4.560 4.406 3.882 4.570 0.010 8 0 "[ . 1]" 1
974 1 13 LYS HA 1 13 LYS QE 4.650 . 4.650 3.725 2.457 4.656 0.006 7 0 "[ . 1]" 1
975 1 13 LYS HB3 1 13 LYS QE 4.490 . 4.490 3.078 2.398 3.838 . 0 0 "[ . 1]" 1
976 1 13 LYS QE 1 90 GLY HA3 4.820 . 4.820 3.854 3.333 4.143 . 0 0 "[ . 1]" 1
977 1 14 CYS H 1 15 GLU QG 4.650 . 4.650 3.977 3.862 4.081 . 0 0 "[ . 1]" 1
978 1 14 CYS HA 1 15 GLU QG 5.330 . 5.330 4.214 3.957 4.361 . 0 0 "[ . 1]" 1
979 1 15 GLU H 1 15 GLU QG 3.040 . 3.040 2.441 2.247 2.550 . 0 0 "[ . 1]" 1
980 1 15 GLU H 1 88 LYS QD 5.230 . 5.230 4.708 4.297 5.159 . 0 0 "[ . 1]" 1
981 1 15 GLU HA 1 15 GLU QG 3.040 . 3.040 2.280 2.203 2.348 . 0 0 "[ . 1]" 1
982 1 15 GLU HA 1 88 LYS QE 4.780 . 4.780 3.705 2.205 4.731 . 0 0 "[ . 1]" 1
983 1 15 GLU HB2 1 15 GLU QG 2.310 . 2.310 2.283 2.246 2.323 0.013 1 0 "[ . 1]" 1
984 1 15 GLU HB3 1 88 LYS QD 3.780 . 3.780 3.251 2.829 3.786 0.006 5 0 "[ . 1]" 1
985 1 15 GLU QG 1 16 ASP H 4.670 . 4.670 4.006 3.902 4.092 . 0 0 "[ . 1]" 1
986 1 15 GLU QG 1 87 CYS HB2 5.110 . 5.110 4.981 4.912 5.074 . 0 0 "[ . 1]" 1
987 1 15 GLU QG 1 87 CYS HB3 4.140 . 4.140 4.148 4.140 4.156 0.016 9 0 "[ . 1]" 1
988 1 15 GLU QG 1 88 LYS H 5.000 . 5.000 4.996 4.898 5.013 0.013 3 0 "[ . 1]" 1
989 1 15 GLU QG 1 88 LYS HA 3.720 . 3.720 3.095 2.773 3.222 . 0 0 "[ . 1]" 1
990 1 15 GLU QG 1 88 LYS HG2 4.150 . 4.150 3.870 3.626 4.149 . 0 0 "[ . 1]" 1
991 1 15 GLU QG 1 88 LYS HG3 5.000 . 5.000 4.704 4.454 4.952 . 0 0 "[ . 1]" 1
992 1 15 GLU QG 1 88 LYS QD 4.510 . 4.510 1.963 1.805 2.263 . 0 0 "[ . 1]" 1
993 1 15 GLU QG 1 88 LYS QE 3.850 . 3.850 3.344 2.731 3.755 . 0 0 "[ . 1]" 1
994 1 16 ASP H 1 16 ASP QB 3.540 . 3.540 2.518 2.298 2.655 . 0 0 "[ . 1]" 1
995 1 16 ASP HA 1 16 ASP QB 2.580 . 2.580 2.333 2.274 2.407 . 0 0 "[ . 1]" 1
996 1 16 ASP QB 1 17 LEU H 3.250 . 3.250 3.237 3.131 3.257 0.007 2 0 "[ . 1]" 1
997 1 16 ASP QB 1 17 LEU HB2 5.290 . 5.290 4.960 4.866 5.056 . 0 0 "[ . 1]" 1
998 1 16 ASP QB 1 17 LEU MD2 5.270 . 5.270 4.331 4.146 4.551 . 0 0 "[ . 1]" 1
999 1 17 LEU HA 1 18 ASP QB 4.830 . 4.830 4.091 4.035 4.377 . 0 0 "[ . 1]" 1
1000 1 18 ASP H 1 18 ASP QB 3.130 . 3.130 2.442 2.373 2.492 . 0 0 "[ . 1]" 1
1001 1 18 ASP QB 1 19 ALA H 2.370 . 2.370 2.373 2.102 2.406 0.036 8 0 "[ . 1]" 1
1002 1 18 ASP QB 1 19 ALA MB 3.950 . 3.950 3.721 3.502 3.790 . 0 0 "[ . 1]" 1
1003 1 18 ASP QB 1 20 ALA H 3.050 . 3.050 2.472 2.314 2.575 . 0 0 "[ . 1]" 1
1004 1 18 ASP QB 1 20 ALA MB 4.270 . 4.270 3.139 2.893 3.261 . 0 0 "[ . 1]" 1
1005 1 18 ASP QB 1 21 GLY H 4.380 . 4.380 3.330 3.014 3.512 . 0 0 "[ . 1]" 1
1006 1 18 ASP QB 1 56 LEU QD 4.930 . 4.930 4.566 4.391 4.669 . 0 0 "[ . 1]" 1
1007 1 18 ASP QB 1 66 TRP HH2 5.110 . 5.110 4.981 4.737 5.124 0.014 10 0 "[ . 1]" 1
1008 1 19 ALA H 1 56 LEU QD 4.510 . 4.510 4.363 4.223 4.473 . 0 0 "[ . 1]" 1
1009 1 19 ALA HA 1 56 LEU QD 3.900 . 3.900 3.870 3.784 3.905 0.005 7 0 "[ . 1]" 1
1010 1 20 ALA H 1 56 LEU QD 3.370 . 3.370 2.833 2.744 2.931 . 0 0 "[ . 1]" 1
1011 1 20 ALA HA 1 56 LEU QD 2.990 . 2.990 1.325 1.248 1.355 . 0 0 "[ . 1]" 1
1012 1 20 ALA MB 1 56 LEU QD 2.530 . 2.530 2.317 2.282 2.357 . 0 0 "[ . 1]" 1
1013 1 22 ILE HA 1 25 SER QB 4.050 . 4.050 2.567 2.485 2.642 . 0 0 "[ . 1]" 1
1014 1 22 ILE HA 1 26 VAL QG 4.820 . 4.820 3.863 3.416 4.519 . 0 0 "[ . 1]" 1
1015 1 22 ILE MG 1 25 SER QB 4.150 . 4.150 3.919 3.737 4.154 0.004 2 0 "[ . 1]" 1
1016 1 22 ILE MG 1 26 VAL QG 3.150 . 3.150 2.457 2.072 3.031 . 0 0 "[ . 1]" 1
1017 1 22 ILE MG 1 61 GLY QA 5.340 . 5.340 5.151 4.923 5.274 . 0 0 "[ . 1]" 1
1018 1 22 ILE HG13 1 25 SER QB 5.340 . 5.340 4.212 4.077 4.403 . 0 0 "[ . 1]" 1
1019 1 22 ILE HG13 1 26 VAL QG 5.440 . 5.440 4.440 3.901 5.215 . 0 0 "[ . 1]" 1
1020 1 22 ILE MD 1 25 SER QB 5.340 . 5.340 3.770 3.556 4.014 . 0 0 "[ . 1]" 1
1021 1 23 ALA H 1 26 VAL QG 4.090 . 4.090 3.950 3.783 4.091 0.001 8 0 "[ . 1]" 1
1022 1 23 ALA H 1 54 VAL QG 5.200 . 5.200 4.247 4.160 4.449 . 0 0 "[ . 1]" 1
1023 1 23 ALA HA 1 26 VAL QG 3.020 . 3.020 2.363 2.023 2.667 . 0 0 "[ . 1]" 1
1024 1 23 ALA HA 1 54 VAL QG 2.910 . 2.910 2.383 2.247 2.635 . 0 0 "[ . 1]" 1
1025 1 23 ALA MB 1 26 VAL QG 3.800 . 3.800 3.584 3.346 3.802 0.002 5 0 "[ . 1]" 1
1026 1 23 ALA MB 1 54 VAL QG 2.590 . 2.590 1.978 1.818 2.166 . 0 0 "[ . 1]" 1
1027 1 24 ALA H 1 25 SER QB 4.780 . 4.780 4.358 4.214 4.693 . 0 0 "[ . 1]" 1
1028 1 24 ALA H 1 26 VAL QG 4.390 . 4.390 4.344 4.214 4.412 0.022 3 0 "[ . 1]" 1
1029 1 24 ALA H 1 27 LYS QD 4.830 . 4.830 3.715 3.467 3.967 . 0 0 "[ . 1]" 1
1030 1 24 ALA HA 1 26 VAL QG 5.360 . 5.360 4.809 4.313 5.106 . 0 0 "[ . 1]" 1
1031 1 24 ALA HA 1 27 LYS QB 3.530 . 3.530 2.727 2.364 2.919 . 0 0 "[ . 1]" 1
1032 1 24 ALA HA 1 27 LYS QG 4.820 . 4.820 2.978 2.535 3.427 . 0 0 "[ . 1]" 1
1033 1 24 ALA HA 1 27 LYS QD 3.380 . 3.380 1.554 1.200 1.937 . 0 0 "[ . 1]" 1
1034 1 25 SER H 1 25 SER QB 2.970 . 2.970 2.273 2.229 2.377 . 0 0 "[ . 1]" 1
1035 1 25 SER H 1 26 VAL QG 3.920 . 3.920 3.852 3.752 3.929 0.009 2 0 "[ . 1]" 1
1036 1 25 SER HA 1 28 ARG QB 3.430 . 3.430 2.398 2.058 2.608 . 0 0 "[ . 1]" 1
1037 1 25 SER HA 1 28 ARG QD 3.570 . 3.570 2.983 2.045 3.585 0.015 7 0 "[ . 1]" 1
1038 1 25 SER QB 1 26 VAL H 3.900 . 3.900 2.584 2.485 2.723 . 0 0 "[ . 1]" 1
1039 1 26 VAL H 1 26 VAL QG 3.040 . 3.040 2.091 1.962 2.262 . 0 0 "[ . 1]" 1
1040 1 26 VAL HA 1 26 VAL QG 2.720 . 2.720 2.167 2.118 2.233 . 0 0 "[ . 1]" 1
1041 1 26 VAL QG 1 27 LYS H 3.990 . 3.990 2.788 2.145 3.201 . 0 0 "[ . 1]" 1
1042 1 26 VAL QG 1 27 LYS HA 4.640 . 4.640 3.505 3.291 3.783 . 0 0 "[ . 1]" 1
1043 1 26 VAL QG 1 29 ASP H 4.670 . 4.670 4.127 3.964 4.291 . 0 0 "[ . 1]" 1
1044 1 26 VAL QG 1 30 TYR H 4.500 . 4.500 4.049 3.858 4.281 . 0 0 "[ . 1]" 1
1045 1 26 VAL QG 1 30 TYR HD2 3.720 . 3.720 2.926 2.682 3.111 . 0 0 "[ . 1]" 1
1046 1 26 VAL QG 1 66 TRP HB2 4.820 . 4.820 4.215 3.796 4.827 0.007 2 0 "[ . 1]" 1
1047 1 26 VAL QG 1 85 VAL MG2 2.740 . 2.740 2.153 1.960 2.400 . 0 0 "[ . 1]" 1
1048 1 27 LYS H 1 27 LYS QB 3.480 . 3.480 2.567 2.348 2.659 . 0 0 "[ . 1]" 1
1049 1 27 LYS H 1 27 LYS QG 4.020 . 4.020 2.059 1.848 2.633 . 0 0 "[ . 1]" 1
1050 1 27 LYS H 1 27 LYS QD 3.760 . 3.760 3.344 3.001 3.544 . 0 0 "[ . 1]" 1
1051 1 27 LYS H 1 54 VAL QG 4.130 . 4.130 3.146 2.832 3.497 . 0 0 "[ . 1]" 1
1052 1 27 LYS HA 1 27 LYS QG 3.430 . 3.430 2.539 2.358 2.626 . 0 0 "[ . 1]" 1
1053 1 27 LYS HA 1 27 LYS QD 4.780 . 4.780 4.190 3.960 4.248 . 0 0 "[ . 1]" 1
1054 1 27 LYS QB 1 27 LYS QD 2.460 . 2.460 2.092 2.054 2.123 . 0 0 "[ . 1]" 1
1055 1 27 LYS QE 1 27 LYS QG 3.270 . 3.270 2.369 2.197 2.725 . 0 0 "[ . 1]" 1
1056 1 27 LYS QG 1 28 ARG H 4.640 . 4.640 3.922 3.728 4.256 . 0 0 "[ . 1]" 1
1057 1 27 LYS QG 1 54 VAL QG 4.930 . 4.930 2.022 1.877 2.151 . 0 0 "[ . 1]" 1
1058 1 28 ARG H 1 28 ARG QB 2.830 . 2.830 2.209 2.088 2.458 . 0 0 "[ . 1]" 1
1059 1 28 ARG H 1 28 ARG QG 4.640 . 4.640 3.451 2.239 4.001 . 0 0 "[ . 1]" 1
1060 1 28 ARG H 1 28 ARG QD 4.460 . 4.460 3.876 2.466 4.309 . 0 0 "[ . 1]" 1
1061 1 28 ARG HA 1 28 ARG QB 2.600 . 2.600 2.413 2.271 2.511 . 0 0 "[ . 1]" 1
1062 1 28 ARG HA 1 28 ARG QG 3.420 . 3.420 2.451 2.313 2.703 . 0 0 "[ . 1]" 1
1063 1 28 ARG HA 1 28 ARG QD 4.560 . 4.560 3.660 2.022 4.130 . 0 0 "[ . 1]" 1
1064 1 28 ARG QB 1 28 ARG QD 2.900 . 2.900 2.125 2.075 2.337 . 0 0 "[ . 1]" 1
1065 1 28 ARG QB 1 29 ASP H 3.260 . 3.260 2.607 2.365 2.821 . 0 0 "[ . 1]" 1
1066 1 31 GLN H 1 32 GLN QB 4.820 . 4.820 4.443 4.369 4.643 . 0 0 "[ . 1]" 1
1067 1 31 GLN HA 1 31 GLN QG 3.370 . 3.370 2.555 2.355 2.878 . 0 0 "[ . 1]" 1
1068 1 31 GLN QB 1 32 GLN QB 5.180 . 5.180 3.992 3.657 4.245 . 0 0 "[ . 1]" 1
1069 1 32 GLN H 1 32 GLN QB 3.330 . 3.330 2.249 2.226 2.343 . 0 0 "[ . 1]" 1
1070 1 45 VAL QG 1 46 GLY H 3.420 . 3.420 2.778 2.298 3.215 . 0 0 "[ . 1]" 1
1071 1 50 PRO HB2 1 72 VAL QG 2.860 . 2.860 2.251 1.824 2.590 . 0 0 "[ . 1]" 1
1072 1 50 PRO QG 1 51 VAL H 4.840 . 4.840 4.686 4.362 4.836 . 0 0 "[ . 1]" 1
1073 1 51 VAL H 1 72 VAL QG 4.850 . 4.850 3.668 2.983 4.702 . 0 0 "[ . 1]" 1
1074 1 51 VAL QG 1 52 ALA H 4.280 . 4.280 2.768 2.317 3.055 . 0 0 "[ . 1]" 1
1075 1 52 ALA HA 1 72 VAL QG 4.880 . 4.880 2.641 2.005 3.644 . 0 0 "[ . 1]" 1
1076 1 52 ALA MB 1 72 VAL QG 4.370 . 4.370 2.498 1.874 3.520 . 0 0 "[ . 1]" 1
1077 1 53 TRP H 1 53 TRP QB 3.690 . 3.690 3.036 2.956 3.142 . 0 0 "[ . 1]" 1
1078 1 53 TRP H 1 72 VAL QG 5.440 . 5.440 3.992 3.297 4.813 . 0 0 "[ . 1]" 1
1079 1 53 TRP QB 1 53 TRP HD1 3.350 . 3.350 2.703 2.658 2.734 . 0 0 "[ . 1]" 1
1080 1 53 TRP QB 1 53 TRP HE3 3.510 . 3.510 2.399 2.360 2.453 . 0 0 "[ . 1]" 1
1081 1 53 TRP HD1 1 73 ARG QB 5.280 . 5.280 4.717 4.060 5.292 0.012 9 0 "[ . 1]" 1
1082 1 53 TRP HD1 1 73 ARG QG 4.890 . 4.890 3.151 2.457 3.769 . 0 0 "[ . 1]" 1
1083 1 54 VAL HA 1 54 VAL QG 3.100 . 3.100 2.324 2.293 2.348 . 0 0 "[ . 1]" 1
1084 1 54 VAL QG 1 55 SER H 3.860 . 3.860 2.450 2.298 2.611 . 0 0 "[ . 1]" 1
1085 1 54 VAL QG 1 55 SER HA 4.580 . 4.580 3.682 3.631 3.737 . 0 0 "[ . 1]" 1
1086 1 54 VAL QG 1 55 SER HB3 4.920 . 4.920 4.544 4.058 4.851 . 0 0 "[ . 1]" 1
1087 1 54 VAL QG 1 56 LEU H 4.610 . 4.610 3.962 3.891 4.078 . 0 0 "[ . 1]" 1
1088 1 54 VAL QG 1 56 LEU HA 4.080 . 4.080 3.741 3.634 3.807 . 0 0 "[ . 1]" 1
1089 1 54 VAL QG 1 58 ASP QB 4.060 . 4.060 4.001 3.757 4.075 0.015 6 0 "[ . 1]" 1
1090 1 54 VAL QG 1 59 ILE H 4.460 . 4.460 4.361 4.258 4.464 0.004 5 0 "[ . 1]" 1
1091 1 54 VAL QG 1 59 ILE HA 4.090 . 4.090 3.789 3.641 3.835 . 0 0 "[ . 1]" 1
1092 1 54 VAL QG 1 59 ILE HB 5.000 . 5.000 4.723 4.514 4.863 . 0 0 "[ . 1]" 1
1093 1 54 VAL QG 1 59 ILE HG12 3.650 . 3.650 2.778 2.510 2.971 . 0 0 "[ . 1]" 1
1094 1 54 VAL QG 1 60 GLN H 5.170 . 5.170 5.145 4.914 5.196 0.026 3 0 "[ . 1]" 1
1095 1 54 VAL QG 1 68 VAL HA 3.190 . 3.190 2.934 2.647 3.160 . 0 0 "[ . 1]" 1
1096 1 54 VAL QG 1 69 PRO QB 4.770 . 4.770 3.704 3.524 4.079 . 0 0 "[ . 1]" 1
1097 1 54 VAL QG 1 69 PRO HG2 2.910 . 2.910 2.077 1.805 2.556 . 0 0 "[ . 1]" 1
1098 1 54 VAL QG 1 69 PRO HG3 4.170 . 4.170 2.965 2.678 3.205 . 0 0 "[ . 1]" 1
1099 1 55 SER HB2 1 58 ASP QB 3.770 . 3.770 2.302 1.710 3.177 . 0 0 "[ . 1]" 1
1100 1 55 SER HB2 1 69 PRO QB 4.150 . 4.150 3.311 2.719 4.086 . 0 0 "[ . 1]" 1
1101 1 55 SER HB3 1 58 ASP QB 3.520 . 3.520 2.139 1.517 2.485 . 0 0 "[ . 1]" 1
1102 1 56 LEU H 1 56 LEU QD 4.270 . 4.270 3.318 3.276 3.406 . 0 0 "[ . 1]" 1
1103 1 56 LEU HA 1 56 LEU QD 2.740 . 2.740 1.933 1.900 1.978 . 0 0 "[ . 1]" 1
1104 1 56 LEU HB2 1 56 LEU QD 3.040 . 3.040 2.237 2.212 2.260 . 0 0 "[ . 1]" 1
1105 1 56 LEU HB3 1 56 LEU QD 2.850 . 2.850 2.360 2.335 2.402 . 0 0 "[ . 1]" 1
1106 1 56 LEU QD 1 57 GLN H 3.990 . 3.990 3.672 3.631 3.725 . 0 0 "[ . 1]" 1
1107 1 56 LEU QD 1 57 GLN HA 4.910 . 4.910 3.631 3.463 3.734 . 0 0 "[ . 1]" 1
1108 1 56 LEU QD 1 57 GLN QG 4.910 . 4.910 4.196 3.869 4.471 . 0 0 "[ . 1]" 1
1109 1 56 LEU QD 1 58 ASP H 4.560 . 4.560 4.347 4.289 4.441 . 0 0 "[ . 1]" 1
1110 1 56 LEU QD 1 59 ILE H 4.130 . 4.130 3.806 3.757 3.841 . 0 0 "[ . 1]" 1
1111 1 56 LEU QD 1 59 ILE HB 3.370 . 3.370 2.911 2.830 2.981 . 0 0 "[ . 1]" 1
1112 1 57 GLN H 1 57 GLN QG 3.750 . 3.750 2.823 2.061 3.127 . 0 0 "[ . 1]" 1
1113 1 57 GLN H 1 58 ASP QB 5.270 . 5.270 4.307 4.158 4.521 . 0 0 "[ . 1]" 1
1114 1 57 GLN HA 1 57 GLN QG 3.140 . 3.140 2.515 2.396 3.095 . 0 0 "[ . 1]" 1
1115 1 57 GLN HE21 1 57 GLN QG 2.910 . 2.910 2.423 2.166 2.782 . 0 0 "[ . 1]" 1
1116 1 58 ASP H 1 58 ASP QB 2.740 . 2.740 2.383 2.304 2.460 . 0 0 "[ . 1]" 1
1117 1 58 ASP QB 1 59 ILE H 3.440 . 3.440 3.338 3.295 3.375 . 0 0 "[ . 1]" 1
1118 1 58 ASP QB 1 59 ILE HB 5.340 . 5.340 5.353 5.346 5.360 0.020 10 0 "[ . 1]" 1
1119 1 58 ASP QB 1 69 PRO QB 4.610 . 4.610 2.330 1.902 2.859 . 0 0 "[ . 1]" 1
1120 1 58 ASP QB 1 69 PRO HG2 3.520 . 3.520 3.087 2.894 3.362 . 0 0 "[ . 1]" 1
1121 1 58 ASP QB 1 69 PRO HG3 3.520 . 3.520 1.723 1.510 1.927 . 0 0 "[ . 1]" 1
1122 1 59 ILE MG 1 61 GLY QA 4.460 . 4.460 4.247 4.184 4.322 . 0 0 "[ . 1]" 1
1123 1 60 GLN H 1 60 GLN QB 2.860 . 2.860 2.611 2.514 2.670 . 0 0 "[ . 1]" 1
1124 1 60 GLN H 1 60 GLN QG 3.590 . 3.590 2.741 2.537 3.014 . 0 0 "[ . 1]" 1
1125 1 60 GLN H 1 61 GLY QA 5.090 . 5.090 4.556 4.469 4.642 . 0 0 "[ . 1]" 1
1126 1 60 GLN HA 1 60 GLN QG 3.100 . 3.100 2.944 2.757 3.065 . 0 0 "[ . 1]" 1
1127 1 60 GLN HA 1 61 GLY QA 4.140 . 4.140 3.967 3.900 3.998 . 0 0 "[ . 1]" 1
1128 1 60 GLN QB 1 60 GLN HE21 3.110 . 3.110 2.573 2.317 3.132 0.022 10 0 "[ . 1]" 1
1129 1 60 GLN QB 1 61 GLY H 2.990 . 2.990 2.626 2.517 2.895 . 0 0 "[ . 1]" 1
1130 1 60 GLN QB 1 61 GLY QA 4.510 . 4.510 3.599 3.546 3.737 . 0 0 "[ . 1]" 1
1131 1 60 GLN QB 1 67 SER H 3.870 . 3.870 3.432 3.186 3.779 . 0 0 "[ . 1]" 1
1132 1 60 GLN QB 1 67 SER HB2 3.840 . 3.840 3.531 3.278 3.843 0.003 3 0 "[ . 1]" 1
1133 1 60 GLN QB 1 67 SER HB3 3.270 . 3.270 2.360 1.888 2.904 . 0 0 "[ . 1]" 1
1134 1 60 GLN HE21 1 60 GLN QG 2.990 . 2.990 2.745 2.311 2.826 . 0 0 "[ . 1]" 1
1135 1 60 GLN HE22 1 60 GLN QG 3.530 . 3.530 3.471 3.324 3.496 . 0 0 "[ . 1]" 1
1136 1 60 GLN QG 1 61 GLY H 4.560 . 4.560 4.454 4.328 4.561 0.001 8 0 "[ . 1]" 1
1137 1 60 GLN QG 1 67 SER HB3 4.640 . 4.640 3.806 3.427 4.326 . 0 0 "[ . 1]" 1
1138 1 61 GLY H 1 62 LYS QB 4.880 . 4.880 4.550 4.378 4.714 . 0 0 "[ . 1]" 1
1139 1 61 GLY QA 1 62 LYS H 2.710 . 2.710 2.262 2.193 2.292 . 0 0 "[ . 1]" 1
1140 1 61 GLY QA 1 62 LYS QB 4.900 . 4.900 3.681 3.618 3.710 . 0 0 "[ . 1]" 1
1141 1 61 GLY QA 1 65 LYS H 4.690 . 4.690 4.546 4.376 4.618 . 0 0 "[ . 1]" 1
1142 1 61 GLY QA 1 65 LYS HB2 5.340 . 5.340 4.850 4.694 4.999 . 0 0 "[ . 1]" 1
1143 1 61 GLY QA 1 65 LYS HB3 5.340 . 5.340 4.438 4.225 4.745 . 0 0 "[ . 1]" 1
1144 1 61 GLY QA 1 66 TRP H 4.870 . 4.870 4.202 4.114 4.254 . 0 0 "[ . 1]" 1
1145 1 61 GLY QA 1 66 TRP HA 2.960 . 2.960 1.734 1.525 2.042 . 0 0 "[ . 1]" 1
1146 1 61 GLY QA 1 66 TRP HE3 3.620 . 3.620 2.683 2.659 2.725 . 0 0 "[ . 1]" 1
1147 1 61 GLY QA 1 66 TRP HZ3 4.440 . 4.440 4.029 3.722 4.139 . 0 0 "[ . 1]" 1
1148 1 61 GLY QA 1 67 SER H 4.030 . 4.030 3.139 2.973 3.403 . 0 0 "[ . 1]" 1
1149 1 62 LYS H 1 62 LYS QB 3.250 . 3.250 2.669 2.619 2.717 . 0 0 "[ . 1]" 1
1150 1 62 LYS H 1 62 LYS QG 4.680 . 4.680 4.068 3.985 4.127 . 0 0 "[ . 1]" 1
1151 1 62 LYS HA 1 62 LYS QD 4.630 . 4.630 4.014 3.721 4.212 . 0 0 "[ . 1]" 1
1152 1 62 LYS QB 1 62 LYS QE 4.340 . 4.340 2.276 1.757 3.535 . 0 0 "[ . 1]" 1
1153 1 62 LYS QB 1 63 ASP H 3.550 . 3.550 3.533 3.493 3.578 0.028 5 0 "[ . 1]" 1
1154 1 62 LYS QB 1 63 ASP HA 5.340 . 5.340 5.119 4.987 5.229 . 0 0 "[ . 1]" 1
1155 1 62 LYS QB 1 63 ASP HB2 4.420 . 4.420 4.139 3.843 4.423 0.003 1 0 "[ . 1]" 1
1156 1 62 LYS QB 1 63 ASP HB3 5.050 . 5.050 4.425 4.234 4.569 . 0 0 "[ . 1]" 1
1157 1 62 LYS QG 1 63 ASP H 3.200 . 3.200 2.312 2.168 2.536 . 0 0 "[ . 1]" 1
1158 1 62 LYS QG 1 63 ASP HA 4.350 . 4.350 3.572 3.387 3.847 . 0 0 "[ . 1]" 1
1159 1 62 LYS QG 1 63 ASP HB2 4.020 . 4.020 2.440 2.284 2.584 . 0 0 "[ . 1]" 1
1160 1 62 LYS QG 1 63 ASP HB3 4.050 . 4.050 3.418 3.117 3.595 . 0 0 "[ . 1]" 1
1161 1 62 LYS QG 1 64 ASP H 4.650 . 4.650 4.430 4.216 4.592 . 0 0 "[ . 1]" 1
1162 1 65 LYS QE 1 65 LYS HG3 3.660 . 3.660 3.148 2.795 3.456 . 0 0 "[ . 1]" 1
1163 1 68 VAL H 1 68 VAL QG 2.990 . 2.990 2.248 2.043 2.397 . 0 0 "[ . 1]" 1
1164 1 68 VAL HA 1 69 PRO QB 4.920 . 4.920 4.621 4.580 4.652 . 0 0 "[ . 1]" 1
1165 1 68 VAL QG 1 69 PRO QB 5.280 . 5.280 4.230 4.181 4.313 . 0 0 "[ . 1]" 1
1166 1 68 VAL QG 1 83 VAL HB 3.510 . 3.510 2.264 1.891 2.666 . 0 0 "[ . 1]" 1
1167 1 68 VAL QG 1 83 VAL MG1 3.560 . 3.560 2.761 2.550 3.164 . 0 0 "[ . 1]" 1
1168 1 68 VAL QG 1 83 VAL MG2 3.200 . 3.200 3.038 2.764 3.210 0.010 8 0 "[ . 1]" 1
1169 1 68 VAL QG 1 84 SER H 5.230 . 5.230 4.710 4.511 5.097 . 0 0 "[ . 1]" 1
1170 1 68 VAL QG 1 84 SER HA 5.440 . 5.440 4.248 3.958 4.718 . 0 0 "[ . 1]" 1
1171 1 68 VAL QG 1 85 VAL H 5.440 . 5.440 3.861 3.656 4.079 . 0 0 "[ . 1]" 1
1172 1 70 LEU H 1 79 ILE QG 5.340 . 5.340 4.844 3.762 5.343 0.003 4 0 "[ . 1]" 1
1173 1 70 LEU HA 1 79 ILE QG 4.220 . 4.220 3.845 3.192 4.231 0.011 2 0 "[ . 1]" 1
1174 1 71 THR H 1 72 VAL QG 4.560 . 4.560 3.884 3.307 4.577 0.017 5 0 "[ . 1]" 1
1175 1 71 THR H 1 79 ILE QG 5.020 . 5.020 4.252 3.593 4.742 . 0 0 "[ . 1]" 1
1176 1 71 THR HA 1 79 ILE QG 5.340 . 5.340 4.593 3.605 5.349 0.009 9 0 "[ . 1]" 1
1177 1 72 VAL HA 1 73 ARG QB 4.610 . 4.610 4.356 4.222 4.450 . 0 0 "[ . 1]" 1
1178 1 72 VAL HB 1 79 ILE QG 4.210 . 4.210 3.331 2.723 3.593 . 0 0 "[ . 1]" 1
1179 1 72 VAL QG 1 73 ARG H 3.520 . 3.520 2.566 2.317 2.771 . 0 0 "[ . 1]" 1
1180 1 72 VAL QG 1 74 GLY H 4.550 . 4.550 3.765 3.452 4.104 . 0 0 "[ . 1]" 1
1181 1 72 VAL QG 1 79 ILE QG 3.620 . 3.620 2.539 1.714 3.634 0.014 10 0 "[ . 1]" 1
1182 1 73 ARG H 1 73 ARG QB 3.520 . 3.520 2.372 2.300 2.470 . 0 0 "[ . 1]" 1
1183 1 73 ARG H 1 73 ARG QG 3.320 . 3.320 2.600 2.202 2.795 . 0 0 "[ . 1]" 1
1184 1 73 ARG QB 1 74 GLY H 4.290 . 4.290 3.465 3.434 3.506 . 0 0 "[ . 1]" 1
1185 1 74 GLY HA2 1 75 LYS QB 4.670 . 4.670 4.174 3.955 4.450 . 0 0 "[ . 1]" 1
1186 1 74 GLY HA3 1 75 LYS QB 4.980 . 4.980 4.944 4.722 5.014 0.034 7 0 "[ . 1]" 1
1187 1 75 LYS H 1 75 LYS QB 3.120 . 3.120 2.373 2.187 2.820 . 0 0 "[ . 1]" 1
1188 1 75 LYS H 1 75 LYS QG 4.540 . 4.540 3.096 1.835 4.036 . 0 0 "[ . 1]" 1
1189 1 75 LYS HA 1 75 LYS QG 3.600 . 3.600 2.606 2.301 3.394 . 0 0 "[ . 1]" 1
1190 1 75 LYS QB 1 76 SER H 3.570 . 3.570 2.839 2.301 3.532 . 0 0 "[ . 1]" 1
1191 1 76 SER QB 1 77 ALA H 4.030 . 4.030 3.551 3.210 3.711 . 0 0 "[ . 1]" 1
1192 1 76 SER QB 1 77 ALA HA 4.430 . 4.430 4.205 4.056 4.440 0.010 8 0 "[ . 1]" 1
1193 1 78 ASP QB 1 79 ILE H 3.960 . 3.960 3.207 2.617 3.702 . 0 0 "[ . 1]" 1
1194 1 79 ILE H 1 79 ILE QG 3.980 . 3.980 2.666 1.968 4.012 0.032 2 0 "[ . 1]" 1
1195 1 83 VAL HA 1 84 SER QB 4.290 . 4.290 4.257 4.047 4.306 0.016 2 0 "[ . 1]" 1
1196 1 83 VAL MG1 1 84 SER QB 4.240 . 4.240 4.083 3.980 4.201 . 0 0 "[ . 1]" 1
1197 1 84 SER H 1 84 SER QB 3.190 . 3.190 2.431 2.393 2.556 . 0 0 "[ . 1]" 1
1198 1 84 SER H 1 93 GLU QB 4.780 . 4.780 2.786 2.421 3.259 . 0 0 "[ . 1]" 1
1199 1 84 SER QB 1 85 VAL H 4.110 . 4.110 3.519 3.370 3.781 . 0 0 "[ . 1]" 1
1200 1 84 SER QB 1 93 GLU H 3.980 . 3.980 2.668 2.523 2.773 . 0 0 "[ . 1]" 1
1201 1 87 CYS HB2 1 88 LYS QD 4.940 . 4.940 4.338 3.889 4.788 . 0 0 "[ . 1]" 1
1202 1 88 LYS H 1 88 LYS QD 4.150 . 4.150 3.784 3.626 3.899 . 0 0 "[ . 1]" 1
1203 1 88 LYS H 1 88 LYS QE 5.340 . 5.340 4.840 4.630 5.254 . 0 0 "[ . 1]" 1
1204 1 88 LYS HA 1 88 LYS QD 3.290 . 3.290 2.056 1.885 2.172 . 0 0 "[ . 1]" 1
1205 1 88 LYS HB3 1 88 LYS QD 2.700 . 2.700 2.545 2.224 2.717 0.017 9 0 "[ . 1]" 1
1206 1 88 LYS QD 1 88 LYS QE 2.180 . 2.180 2.071 1.993 2.092 . 0 0 "[ . 1]" 1
1207 1 92 ALA HA 1 93 GLU QB 4.430 . 4.430 4.082 3.867 4.422 . 0 0 "[ . 1]" 1
1208 1 93 GLU H 1 93 GLU QB 3.540 . 3.540 2.347 2.228 2.476 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 102
_Distance_constraint_stats_list.Viol_total 61.792
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0315
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0140
_Distance_constraint_stats_list.Viol_average_violations_only 0.0606
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 18 ASP 0.404 0.112 7 0 "[ . 1]"
1 19 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 0.022 0.013 7 0 "[ . 1]"
1 22 ILE 1.248 0.114 1 0 "[ . 1]"
1 23 ALA 0.000 0.000 . 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 SER 0.022 0.013 7 0 "[ . 1]"
1 26 VAL 0.844 0.114 1 0 "[ . 1]"
1 27 LYS 0.031 0.031 1 0 "[ . 1]"
1 28 ARG 0.051 0.051 3 0 "[ . 1]"
1 29 ASP 0.000 0.000 . 0 "[ . 1]"
1 30 TYR 0.000 0.000 . 0 "[ . 1]"
1 31 GLN 0.031 0.031 1 0 "[ . 1]"
1 32 GLN 0.051 0.051 3 0 "[ . 1]"
1 33 ASN 0.000 0.000 . 0 "[ . 1]"
1 53 TRP 0.929 0.140 8 0 "[ . 1]"
1 55 SER 0.000 0.000 . 0 "[ . 1]"
1 56 LEU 0.000 0.000 . 0 "[ . 1]"
1 58 ASP 0.000 0.000 . 0 "[ . 1]"
1 59 ILE 0.000 0.000 . 0 "[ . 1]"
1 60 GLN 1.716 0.141 5 0 "[ . 1]"
1 62 LYS 0.000 0.000 . 0 "[ . 1]"
1 64 ASP 0.293 0.106 1 0 "[ . 1]"
1 65 LYS 0.000 0.000 . 0 "[ . 1]"
1 66 TRP 0.972 0.119 8 0 "[ . 1]"
1 67 SER 1.716 0.141 5 0 "[ . 1]"
1 71 THR 0.929 0.140 8 0 "[ . 1]"
1 84 SER 0.740 0.154 6 0 "[ . 1]"
1 85 VAL 0.972 0.119 8 0 "[ . 1]"
1 86 ASP 0.178 0.069 2 0 "[ . 1]"
1 87 CYS 0.293 0.106 1 0 "[ . 1]"
1 91 MET 0.178 0.069 2 0 "[ . 1]"
1 93 GLU 0.740 0.154 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 ASP O 1 22 ILE H 2.000 . 2.200 1.778 1.688 1.863 0.112 7 0 "[ . 1]" 2
2 1 18 ASP O 1 22 ILE N 3.000 2.700 3.200 2.730 2.643 2.809 0.057 7 0 "[ . 1]" 2
3 1 19 ALA O 1 23 ALA H 2.000 . 2.200 2.014 2.007 2.017 . 0 0 "[ . 1]" 2
4 1 19 ALA O 1 23 ALA N 3.000 2.700 3.200 2.986 2.976 2.999 . 0 0 "[ . 1]" 2
5 1 21 GLY O 1 25 SER H 2.000 . 2.200 1.945 1.787 2.009 0.013 7 0 "[ . 1]" 2
6 1 21 GLY O 1 25 SER N 3.000 2.700 3.200 2.842 2.691 2.934 0.009 7 0 "[ . 1]" 2
7 1 22 ILE O 1 26 VAL H 2.000 . 2.200 1.741 1.686 1.820 0.114 1 0 "[ . 1]" 2
8 1 22 ILE O 1 26 VAL N 3.000 2.700 3.200 2.689 2.642 2.775 0.058 6 0 "[ . 1]" 2
9 1 23 ALA O 1 27 LYS H 2.000 . 2.200 1.904 1.816 2.006 . 0 0 "[ . 1]" 2
10 1 23 ALA O 1 27 LYS N 3.000 2.700 3.200 2.864 2.768 2.980 . 0 0 "[ . 1]" 2
11 1 24 ALA O 1 28 ARG H 2.000 . 2.200 2.005 1.986 2.015 . 0 0 "[ . 1]" 2
12 1 24 ALA O 1 28 ARG N 3.000 2.700 3.200 2.939 2.862 2.973 . 0 0 "[ . 1]" 2
13 1 25 SER O 1 29 ASP H 2.000 . 2.200 1.993 1.927 2.014 . 0 0 "[ . 1]" 2
14 1 25 SER O 1 29 ASP N 3.000 2.700 3.200 2.843 2.737 2.916 . 0 0 "[ . 1]" 2
15 1 27 LYS O 1 31 GLN H 2.000 . 2.200 1.943 1.769 2.015 0.031 1 0 "[ . 1]" 2
16 1 27 LYS O 1 31 GLN N 3.000 2.700 3.200 2.890 2.703 2.974 . 0 0 "[ . 1]" 2
17 1 28 ARG O 1 32 GLN H 2.000 . 2.200 1.956 1.842 2.009 . 0 0 "[ . 1]" 2
18 1 28 ARG O 1 32 GLN N 3.000 2.700 3.200 2.807 2.649 2.935 0.051 3 0 "[ . 1]" 2
19 1 30 TYR O 1 33 ASN H 2.000 . 2.200 2.007 1.978 2.017 . 0 0 "[ . 1]" 2
20 1 30 TYR O 1 33 ASN N 3.000 2.700 3.200 2.859 2.759 2.936 . 0 0 "[ . 1]" 2
21 1 53 TRP H 1 71 THR O 2.000 . 2.200 1.758 1.660 1.998 0.140 8 0 "[ . 1]" 2
22 1 53 TRP N 1 71 THR O 3.000 2.700 3.200 2.705 2.590 2.921 0.110 8 0 "[ . 1]" 2
23 1 55 SER O 1 58 ASP H 2.000 . 2.200 2.013 2.007 2.018 . 0 0 "[ . 1]" 2
24 1 55 SER O 1 58 ASP N 3.000 2.700 3.200 2.852 2.798 2.869 . 0 0 "[ . 1]" 2
25 1 56 LEU O 1 59 ILE H 2.000 . 2.200 2.012 2.008 2.016 . 0 0 "[ . 1]" 2
26 1 56 LEU O 1 59 ILE N 3.000 2.700 3.200 2.934 2.909 2.961 . 0 0 "[ . 1]" 2
27 1 62 LYS O 1 65 LYS H 2.000 . 2.200 1.969 1.891 2.009 . 0 0 "[ . 1]" 2
28 1 62 LYS O 1 65 LYS N 3.000 2.700 3.200 2.934 2.853 2.977 . 0 0 "[ . 1]" 2
29 1 66 TRP H 1 85 VAL O 2.000 . 2.200 1.879 1.782 1.935 0.018 7 0 "[ . 1]" 2
30 1 66 TRP N 1 85 VAL O 3.000 2.700 3.200 2.802 2.718 2.854 . 0 0 "[ . 1]" 2
31 1 60 GLN O 1 67 SER H 2.000 . 2.200 1.696 1.659 1.808 0.141 5 0 "[ . 1]" 2
32 1 60 GLN O 1 67 SER N 3.000 2.700 3.200 2.633 2.607 2.680 0.093 9 0 "[ . 1]" 2
33 1 84 SER H 1 93 GLU O 2.000 . 2.200 1.913 1.646 2.011 0.154 6 0 "[ . 1]" 2
34 1 84 SER N 1 93 GLU O 3.000 2.700 3.200 2.859 2.619 2.966 0.081 8 0 "[ . 1]" 2
35 1 66 TRP O 1 85 VAL H 2.000 . 2.200 1.724 1.681 1.792 0.119 8 0 "[ . 1]" 2
36 1 66 TRP O 1 85 VAL N 3.000 2.700 3.200 2.691 2.645 2.757 0.055 8 0 "[ . 1]" 2
37 1 86 ASP H 1 91 MET O 2.000 . 2.200 1.830 1.731 1.945 0.069 2 0 "[ . 1]" 2
38 1 86 ASP N 1 91 MET O 3.000 2.700 3.200 2.803 2.708 2.920 . 0 0 "[ . 1]" 2
39 1 64 ASP O 1 87 CYS H 2.000 . 2.200 1.833 1.694 2.001 0.106 1 0 "[ . 1]" 2
40 1 64 ASP O 1 87 CYS N 3.000 2.700 3.200 2.778 2.648 2.947 0.052 5 0 "[ . 1]" 2
41 1 86 ASP O 1 91 MET H 2.000 . 2.200 2.010 2.003 2.021 . 0 0 "[ . 1]" 2
42 1 86 ASP O 1 91 MET N 3.000 2.700 3.200 2.901 2.872 2.914 . 0 0 "[ . 1]" 2
43 1 84 SER O 1 93 GLU H 2.000 . 2.200 1.797 1.734 1.902 0.066 9 0 "[ . 1]" 2
44 1 84 SER O 1 93 GLU N 3.000 2.700 3.200 2.741 2.689 2.842 0.011 7 0 "[ . 1]" 2
stop_
save_
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